55142065
  -OEChem-05122417302D

 36 37  0     0  0  0  0  0  0999 V2000
    6.0010   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   -0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2131   -0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3810    4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  1  0  0  0  0
  3 17  2  0  0  0  0
  4 10  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  2  0  0  0  0
 10 13  2  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 18  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55142065

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
295

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAjBngQ+wJLIEACoAzV3VACCgCAxAiAI2KE4ZJgIIPLA1ZGEIAhglgDIyAcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-aminophenyl)-N-[(6-methyl-3-pyridyl)methyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-aminophenyl)-<I>N</I>-[(6-methylpyridin-3-yl)methyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-(2-aminophenyl)-N-[(6-methylpyridin-3-yl)methyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-aminophenyl)-N-[(6-methylpyridin-3-yl)methyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-aminophenyl)-N-[(6-methyl-3-pyridyl)methyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17N3O/c1-11-6-7-12(9-17-11)10-18-15(19)8-13-4-2-3-5-14(13)16/h2-7,9H,8,10,16H2,1H3,(H,18,19)

> <PUBCHEM_IUPAC_INCHIKEY>
ATHVGJLIFKNLOM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
255.137162174

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
255.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC=C(C=C1)CNC(=O)CC2=CC=CC=C2N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC=C(C=C1)CNC(=O)CC2=CC=CC=C2N

> <PUBCHEM_CACTVS_TPSA>
68

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.137162174

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  13  8
11  15  8
12  16  8
13  18  8
15  18  8
16  17  8
3  14  8
3  17  8
6  10  8
6  11  8
8  12  8
8  14  8

$$$$