22319026
  -OEChem-05132409282D

 43 46  0     0  0  0  0  0  0999 V2000
    3.7320   -0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 25  2  0  0  0  0
  4 13  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 19  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 14 29  1  0  0  0  0
 15 21  1  0  0  0  0
 15 30  1  0  0  0  0
 16 22  2  0  0  0  0
 16 31  1  0  0  0  0
 17 20  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 24  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 23  2  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 26  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22319026

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
576

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8YIEAAAAAAAAB0AAAHgAQAAAADAjBngQ8wJNIEACoAzV3VACCgCAxAiAI2CE4ZNgIIPLAlZGEIAhglgDIyYcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-aminophenyl)-1-phenyl-5-(2-pyridyl)pyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-aminophenyl)-1-phenyl-5-(2-pyridinyl)-2-pyridinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-aminophenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one

> <PUBCHEM_IUPAC_NAME>
3-(2-aminophenyl)-1-phenyl-5-pyridin-2-ylpyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(2-aminophenyl)-1-phenyl-5-pyridin-2-yl-pyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-aminophenyl)-1-phenyl-5-(2-pyridyl)-2-pyridone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H17N3O/c23-20-11-5-4-10-18(20)19-14-16(21-12-6-7-13-24-21)15-25(22(19)26)17-8-2-1-3-9-17/h1-15H,23H2

> <PUBCHEM_IUPAC_INCHIKEY>
QSSBULVYXONWDD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
339.137162174

> <PUBCHEM_MOLECULAR_FORMULA>
C22H17N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
339.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3N)C4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)N2C=C(C=C(C2=O)C3=CC=CC=C3N)C4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
59.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
339.137162174

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
11  15  8
11  16  8
12  19  8
13  17  8
14  18  8
15  21  8
16  22  8
17  20  8
18  20  8
19  24  8
2  10  8
2  7  8
21  23  8
22  23  8
24  26  8
25  26  8
3  12  8
3  25  8
5  7  8
5  9  8
6  10  8
6  9  8
8  13  8
8  14  8

$$$$