
 CHEMBL3423274

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.4091    1.4529   -0.1946 C   0  0  0  0  0
    1.0955    0.5583   -1.3689 C   0  0  0  0  0
    0.1746    0.6005   -0.1653 C   0  0  0  0  0
   -1.1076    1.2191   -0.2118 N   0  0  0  0  0
   -2.1436    0.7877   -1.0166 C   0  0  0  0  0
   -2.0654   -0.1276   -1.8279 O   0  0  0  0  0
   -3.4150    1.5548   -0.8146 C   0  0  0  0  0
   -4.5227    1.2877   -1.6082 C   0  0  0  0  0
   -5.6818    2.0241   -1.3831 C   0  0  0  0  0
   -5.6939    2.9899   -0.3804 C   0  0  0  0  0
   -4.5401    3.1875    0.3634 C   0  0  0  0  0
   -3.3948    2.4979    0.1725 N   0  0  0  0  0
    1.9119   -0.6867   -1.6274 C   0  0  0  0  0
    1.2865   -1.9025   -1.9482 C   0  0  0  0  0
    2.0381   -3.0495   -2.1888 C   0  0  0  0  0
    3.4248   -3.0244   -2.1234 C   0  0  0  0  0
    4.0703   -1.8299   -1.8202 C   0  0  0  0  0
    3.3183   -0.6747   -1.5816 C   0  0  0  0  0
    1.4155   -4.1974   -2.4883 F   0  0  0  0  0
    2.2144    1.1843    0.4784 H   0  0  0  0  0
    1.3000    2.5209   -0.3448 H   0  0  0  0  0
    0.7285    1.0554   -2.2652 H   0  0  0  0  0
    0.1916   -0.2581    0.5025 H   0  0  0  0  0
   -1.3401    1.9601    0.4465 H   0  0  0  0  0
   -4.4830    0.5272   -2.3815 H   0  0  0  0  0
   -6.5692    1.8450   -1.9854 H   0  0  0  0  0
   -6.5854    3.5759   -0.1822 H   0  0  0  0  0
   -4.5104    3.9309    1.1560 H   0  0  0  0  0
    0.2018   -1.9570   -2.0130 H   0  0  0  0  0
    3.9895   -3.9311   -2.3130 H   0  0  0  0  0
    5.1552   -1.7925   -1.7703 H   0  0  0  0  0
    3.8387    0.2535   -1.3531 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 13  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  2  0  0  0
  9 26  1  0  0  0
 10 11  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 30  1  0  0  0
 17 18  2  0  0  0
 17 31  1  0  0  0
 18 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3423274

>  <PubChem CID>
118736334

>  <Formula>
C15H13FN2O

>  <Molecular Weight>
256.280000

>  <IUPAC Name>
N-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]pyridine-2-carboxamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(C1NC(=O)C2=CC=CC=N2)C3=CC(=CC=C3)F

>  <Isomeric SMILES>
C1[C@@H]([C@H]1NC(=O)C2=CC=CC=N2)C3=CC(=CC=C3)F

>  <InChI Std. ID>
InChI=1S/C15H13FN2O/c16-11-5-3-4-10(8-11)12-9-14(12)18-15(19)13-6-1-2-7-17-13/h1-8,12,14H,9H2,(H,18,19)/t12-,14+/m1/s1

>  <InChI Key>
XVNIQDLTTXBSRY-OCCSQVGLSA-N

