772861
  -OEChem-05231306202D

 37 39  0     0  0  0  0  0  0999 V2000
    2.0000    1.9806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.0194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    3.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8385    4.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    5.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969    5.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256    4.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511    3.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075    3.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    3.8205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    3.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -2.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -4.3294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.1394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 16  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 33  1  0  0  0  0
  5 19  1  0  0  0  0
  5 21  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
772861

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
359

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHgIQAAAADArBmiQ8wJPIEACoAjV3VACCgCA1ByAI2CE4ZtgIIPrB15HEIYhglADIyccYAQAMAACAAAIAABAAAQAABAAAIAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-chloro-4-pyrrolidin-1-yl-phenyl)pyridine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-3-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME>
N-(3-chloro-4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-chloranyl-4-pyrrolidin-1-yl-phenyl)pyridine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3-chloro-4-pyrrolidino-phenyl)nicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H16ClN3O/c17-14-10-13(5-6-15(14)20-8-1-2-9-20)19-16(21)12-4-3-7-18-11-12/h3-7,10-11H,1-2,8-9H2,(H,19,21)

> <PUBCHEM_IUPAC_INCHIKEY>
WHPVSPHJZFJDTM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
301.09819

> <PUBCHEM_MOLECULAR_FORMULA>
C16H16ClN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
301.77074

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C3=CN=CC=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
45.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
301.09819

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  12  8
11  13  8
12  14  8
13  15  8
14  15  8
17  18  8
17  19  8
18  20  8
20  21  8
5  19  8
5  21  8

$$$$