43738488
  -OEChem-05122408162D

 36 37  0     1  0  0  0  0  0999 V2000
    3.4030   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.2500    0.0000 C   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
    6.8671   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4231   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 21  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  2  0  0  0  0
  4 16  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  9  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 16  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 12 15  1  0  0  0  0
 12 28  1  0  0  0  0
 13 17  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 17 19  2  0  0  0  0
 17 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>
43738488

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
295

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADCjBngQ+wJLIEACoAzV3VACCgCAxAiAI2KE4ZJgIYPLAlZGUIAhgkADIyAcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[2-[1-(2-pyridyl)ethylamino]phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[2-[1-(2-pyridinyl)ethylamino]phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[2-(1-pyridin-2-ylethylamino)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-[2-(1-pyridin-2-ylethylamino)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2-(1-pyridin-2-ylethylamino)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[2-[1-(2-pyridyl)ethylamino]phenyl]acetamide

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

> <PUBCHEM_IUPAC_INCHIKEY>
VBHZWDOEGOHESK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
255.137162174

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
255.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1=CC=CC=N1)NC2=CC=CC=C2CC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1=CC=CC=N1)NC2=CC=CC=C2CC(=O)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>
1

> <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  14  8
12  15  8
13  17  8
14  15  8
17  19  8
18  19  8
3  18  8
3  8  8
5  9  3
6  11  8
6  7  8
7  12  8
8  13  8

$$$$