55206520
  -OEChem-04252416522D

 36 37  0     0  0  0  0  0  0999 V2000
    4.5981   -0.3450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    1.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    1.7627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.2376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.4527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    3.1919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    2.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.2750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  2 24  1  0  0  0  0
  3  8  1  0  0  0  0
  3 19  2  0  0  0  0
  4 17  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  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  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
55206520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
287

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAjBngQ+wJLIEACoAzV3VACCgCAxAiAI2KE4ZJgIYPLAlZGUIAhglgDIyAcYiICOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(4-aminophenyl)-N-[(3-methyl-2-pyridyl)methyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(4-aminophenyl)-N-[(3-methyl-2-pyridinyl)methyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(4-aminophenyl)-<I>N</I>-[(3-methylpyridin-2-yl)methyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-(4-aminophenyl)-N-[(3-methylpyridin-2-yl)methyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(4-aminophenyl)-N-[(3-methylpyridin-2-yl)methyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(4-aminophenyl)-N-[(3-methyl-2-pyridyl)methyl]acetamide

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

> <PUBCHEM_IUPAC_INCHIKEY>
OPFXEEPACVVWBX-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=C(N=CC=C1)CNC(=O)CC2=CC=C(C=C2)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N=CC=C1)CNC(=O)CC2=CC=C(C=C2)N

> <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>
11  15  8
12  16  8
13  18  8
15  17  8
16  17  8
18  19  8
3  19  8
3  8  8
7  11  8
7  12  8
8  9  8
9  13  8

$$$$