51589460
  -OEChem-05042415302D

 56 59  0     1  0  0  0  0  0999 V2000
    9.7942    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6603    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383    2.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7383    0.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1369    1.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    2.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 24  2  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  6 18  2  0  0  0  0
  6 27  1  0  0  0  0
  7 21  1  0  0  0  0
  7 24  1  0  0  0  0
  7 51  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  1  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 17  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 23  2  0  0  0  0
 20 22  2  0  0  0  0
 20 49  1  0  0  0  0
 21 26  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 28  1  0  0  0  0
 23 50  1  0  0  0  0
 25 27  2  0  0  0  0
 25 52  1  0  0  0  0
 26 29  1  0  0  0  0
 26 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 29  2  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
51589460

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
514

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8WJEAAAAAAAABwAAAHgAQAAAADBzhmgY99pPIFACoAjd3dACCiCk1IiAJ2CE/bNiPJnLEvZuHOSjs1BPa6aeUQAAKAAAAAAAAEAAAAAAAAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-morpholino-N-[2-[[(2R)-tetrahydropyran-2-yl]methoxy]phenyl]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-morpholinyl)-N-[2-[[(2R)-2-oxanyl]methoxy]phenyl]-4-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-morpholin-4-yl-<I>N</I>-[2-[[(2<I>R</I>)-oxan-2-yl]methoxy]phenyl]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-morpholin-4-yl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-morpholin-4-yl-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]pyridine-4-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-morpholino-N-[2-[[(2R)-tetrahydropyran-2-yl]methoxy]phenyl]isonicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H27N3O4/c26-22(17-8-9-23-21(15-17)25-10-13-27-14-11-25)24-19-6-1-2-7-20(19)29-16-18-5-3-4-12-28-18/h1-2,6-9,15,18H,3-5,10-14,16H2,(H,24,26)/t18-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LUAUKCZNLZRWHG-GOSISDBHSA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
397.20015635

> <PUBCHEM_MOLECULAR_FORMULA>
C22H27N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
397.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCOC(C1)COC2=CC=CC=C2NC(=O)C3=CC(=NC=C3)N4CCOCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCO[C@H](C1)COC2=CC=CC=C2NC(=O)C3=CC(=NC=C3)N4CCOCC4

> <PUBCHEM_CACTVS_TPSA>
72.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
397.20015635

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
18  20  8
19  21  8
19  23  8
20  22  8
21  26  8
22  25  8
23  28  8
25  27  8
26  29  8
28  29  8
6  18  8
6  27  8
8  13  5

$$$$