57300325
  -OEChem-04262414422D

 36 37  0     0  0  0  0  0  0999 V2000
   12.9292    2.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.2500    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   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335   -1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.2751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 17  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 27  1  0  0  0  0
  4  7  2  0  0  0  0
  4 14  1  0  0  0  0
  5 17  1  0  0  0  0
  5 35  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 17  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 31  1  0  0  0  0
 16 19  2  0  0  0  0
 16 32  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57300325

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
306

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIQAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHwAQAAAADAjBngw8wJLIEACoAzV3VACCgCAxEiAI2KE4dJgIYPLAkZGUIAhgkADIyAcciICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[5-[(4-fluorophenyl)methylamino]-2-pyridyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[5-[(4-fluorophenyl)methylamino]pyridin-2-yl]propanamide

> <PUBCHEM_IUPAC_NAME>
3-[5-[(4-fluorophenyl)methylamino]pyridin-2-yl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[5-[(4-fluorophenyl)methylamino]pyridin-2-yl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[5-[(4-fluorobenzyl)amino]-2-pyridyl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H16FN3O/c16-12-3-1-11(2-4-12)9-18-14-6-5-13(19-10-14)7-8-15(17)20/h1-6,10,18H,7-9H2,(H2,17,20)

> <PUBCHEM_IUPAC_INCHIKEY>
HFKJLVVUQZEOKU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
273.12774030

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
273.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1CNC2=CN=C(C=C2)CCC(=O)N)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1CNC2=CN=C(C=C2)CCC(=O)N)F

> <PUBCHEM_CACTVS_TPSA>
68

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
273.12774030

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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
11  16  8
12  13  8
15  18  8
16  19  8
18  20  8
19  20  8
4  14  8
4  7  8
7  12  8
9  13  8
9  14  8

$$$$