60396764
  -OEChem-05132405322D

 59 61  0     0  0  0  0  0  0999 V2000
    9.7942   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    4.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    4.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 17  1  0  0  0  0
  2 25  1  0  0  0  0
  3 19  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  2  0  0  0  0
  7 19  1  0  0  0  0
  7 24  1  0  0  0  0
  7 55  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 20  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 21  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 23  2  0  0  0  0
 18 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  1  0  0  0  0
 26 28  1  0  0  0  0
 26 56  1  0  0  0  0
 27 29  2  0  0  0  0
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 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60396764

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
475

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAAAAABwAAAHgAQAAAADAzhmgY/9pPIFACoAjd3dACCiCk1IiAJ2CE+bNiOJvrE/ZuHOajs1BPY6ee4QQAMAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-morpholino-pyridine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-morpholinyl)-3-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[4-[2-(diethylamino)ethoxy]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-morpholin-4-ylpyridine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-morpholin-4-yl-pyridine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-morpholino-nicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H30N4O3/c1-3-25(4-2)12-17-29-19-9-7-18(8-10-19)24-22(27)20-6-5-11-23-21(20)26-13-15-28-16-14-26/h5-11H,3-4,12-17H2,1-2H3,(H,24,27)

> <PUBCHEM_IUPAC_INCHIKEY>
GJYVSRHNXHPSOY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
398.23179083

> <PUBCHEM_MOLECULAR_FORMULA>
C22H30N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
398.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CCOC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)N3CCOCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CCOC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)N3CCOCC3

> <PUBCHEM_CACTVS_TPSA>
66.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
398.23179083

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
13  18  8
18  23  8
22  23  8
24  26  8
24  27  8
25  28  8
25  29  8
26  28  8
27  29  8
6  12  8
6  22  8

$$$$