69843175
  -OEChem-04252403362D

 28 29  0     0  0  0  0  0  0999 V2000
    4.2690   -2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.8574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -1.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3 13  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 17  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  2  0  0  0  0
  8 20  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 14 16  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69843175

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
242

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAjBngQ8gJJIEACoAzV3VACCgCAxAiAI2CE4ZJgIIPLAlZGEIAhgkADIyAcYiMCOAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[3-(2-pyridyl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[3-(2-pyridinyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(3-pyridin-2-ylphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(3-pyridin-2-ylphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(3-pyridin-2-ylphenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[3-(2-pyridyl)phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H12N2O/c14-13(16)9-10-4-3-5-11(8-10)12-6-1-2-7-15-12/h1-8H,9H2,(H2,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
JGNXVFMSYKZHQO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.4

> <PUBCHEM_EXACT_MASS>
212.094963011

> <PUBCHEM_MOLECULAR_FORMULA>
C13H12N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
212.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC(=C1)C2=CC=CC(=C2)CC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC(=C1)C2=CC=CC(=C2)CC(=O)N

> <PUBCHEM_CACTVS_TPSA>
56

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
212.094963011

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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  11  8
12  14  8
14  16  8
15  16  8
2  15  8
2  9  8
4  6  8
4  8  8
5  10  8
5  6  8
8  11  8
9  12  8

$$$$