69852472
  -OEChem-04262413402D

 56 59  0     0  0  0  0  0  0999 V2000
    7.1962   -2.0000    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
    8.0622   -3.5000    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
    2.8660    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5000    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
    8.9282   -2.0000    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
    8.0622   -2.5000    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
    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
    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
    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
    5.4641    1.0000    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
    4.5981    2.5000    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
    3.7320    4.0000    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    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
    2.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063   -1.9174    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
    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
    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
    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
    4.9272   -3.6900    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
    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
    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
    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
    4.0611    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
    4.2690    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    6.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 21  1  0  0  0  0
  2 23  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  1  0  0  0  0
  4 16  2  0  0  0  0
  5 15  1  0  0  0  0
  5 18  1  0  0  0  0
  5 44  1  0  0  0  0
  6 26  1  0  0  0  0
  6 29  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  2  0  0  0  0
 14 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 24  1  0  0  0  0
 19 45  1  0  0  0  0
 20 25  2  0  0  0  0
 20 46  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 28 30  2  0  0  0  0
 28 54  1  0  0  0  0
 29 30  1  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69852472

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
517

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAAB8AAAHgAQAAAADAzhngY99pPIFACoAzd3dACCiCk1IiAJ2CE+bNiMJvrE/ZuGOaju1BPI6ee4wSAMAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(1-piperidyl)-N-[4-[2-(2-pyridyl)ethoxy]phenyl]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(1-piperidinyl)-N-[4-[2-(2-pyridinyl)ethoxy]phenyl]-3-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-piperidin-1-yl-<I>N</I>-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-piperidin-1-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-piperidin-1-yl-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-piperidino-N-[4-[2-(2-pyridyl)ethoxy]phenyl]nicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H26N4O2/c29-24(22-8-6-15-26-23(22)28-16-4-1-5-17-28)27-20-9-11-21(12-10-20)30-18-13-19-7-2-3-14-25-19/h2-3,6-12,14-15H,1,4-5,13,16-18H2,(H,27,29)

> <PUBCHEM_IUPAC_INCHIKEY>
DNOSNOKNNDIDCZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
402.20557608

> <PUBCHEM_MOLECULAR_FORMULA>
C24H26N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
402.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(CC1)C2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)OCCC4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(CC1)C2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)OCCC4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
402.20557608

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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  14  8
14  17  8
16  17  8
18  19  8
18  20  8
19  24  8
20  25  8
21  24  8
21  25  8
26  27  8
27  28  8
28  30  8
29  30  8
4  12  8
4  16  8
6  26  8
6  29  8

$$$$