70325566
  -OEChem-05052419262D

 42 44  0     0  0  0  0  0  0999 V2000
    3.4030   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 15  1  0  0  0  0
  2 17  1  0  0  0  0
  2 30  1  0  0  0  0
  3  7  1  0  0  0  0
  3 18  2  0  0  0  0
  4  9  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5 19  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  2  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 16 29  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 31  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 24  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70325566

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
422

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgAQAAAADAjBngQ+wJLIEACoAzV3VACCgCA1EiAI2CEodNgIYPLAlZGUIQhglADIyYcYiMCOQAAAAAAAACCAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(3-amino-5-methyl-2-pyridyl)-N-(2-aminophenyl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-(3-amino-5-methyl-2-pyridinyl)-N-(2-aminophenyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(3-amino-5-methylpyridin-2-yl)-<I>N</I>-(2-aminophenyl)benzamide

> <PUBCHEM_IUPAC_NAME>
4-(3-amino-5-methylpyridin-2-yl)-N-(2-aminophenyl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-aminophenyl)-4-(3-azanyl-5-methyl-pyridin-2-yl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(3-amino-5-methyl-2-pyridyl)-N-(2-aminophenyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18N4O/c1-12-10-16(21)18(22-11-12)13-6-8-14(9-7-13)19(24)23-17-5-3-2-4-15(17)20/h2-11H,20-21H2,1H3,(H,23,24)

> <PUBCHEM_IUPAC_INCHIKEY>
RKWPOSPHBXTENG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
318.14806121

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
318.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=C(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=C(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)N

> <PUBCHEM_CACTVS_TPSA>
94

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
318.14806121

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
10  12  8
11  13  8
14  16  8
14  18  8
17  19  8
17  20  8
19  22  8
20  23  8
22  24  8
23  24  8
3  18  8
3  7  8
6  10  8
6  11  8
7  9  8
8  12  8
8  13  8
9  16  8

$$$$