
 CHEMBL3617557

 45 47  0  0  0  0  0  0  0  0999 V2000
    6.7861    5.0928    1.9190 C   0  0  0  0  0
    7.1019    4.0499    0.9415 N   0  0  0  0  0
    8.2353    4.4711    0.1083 C   0  0  0  0  0
    8.6352    3.3651   -0.8682 C   0  0  0  0  0
    7.4657    2.8580   -1.7135 C   0  0  0  0  0
    6.2077    2.6286   -0.8715 C   0  0  0  0  0
    5.9249    3.7683    0.1082 C   0  0  0  0  0
    7.1751    3.8182   -2.8677 C   0  0  0  0  0
    6.8901    5.0017   -2.6829 O   0  0  0  0  0
    7.2136    3.2905   -4.2645 C   0  0  0  0  0
    7.5575    1.9869   -4.4212 N   0  0  0  0  0
    7.5057    1.4787   -5.6660 C   0  0  0  0  0
    7.1827    2.2482   -6.7760 C   0  0  0  0  0
    6.8644    3.5920   -6.5998 C   0  0  0  0  0
    6.8681    4.1260   -5.3191 C   0  0  0  0  0
    7.8086    0.1135   -5.7242 N   0  0  0  0  0
    7.5349   -0.7383   -6.7717 C   0  0  0  0  0
    6.9189   -0.4220   -7.7863 O   0  0  0  0  0
    7.9970   -2.1553   -6.6395 C   0  0  0  0  0
    8.9204   -2.5837   -5.6742 C   0  0  0  0  0
    9.3518   -3.9174   -5.6654 C   0  0  0  0  0
    8.8705   -4.8082   -6.6145 C   0  0  0  0  0
    7.9534   -4.4054   -7.5727 C   0  0  0  0  0
    7.5141   -3.0780   -7.5837 C   0  0  0  0  0
    9.3071   -6.0766   -6.6126 F   0  0  0  0  0
    5.9692    4.7710    2.5743 H   0  0  0  0  0
    6.4947    6.0354    1.4408 H   0  0  0  0  0
    7.6490    5.2868    2.5659 H   0  0  0  0  0
    9.1032    4.6823    0.7454 H   0  0  0  0  0
    8.0087    5.3981   -0.4327 H   0  0  0  0  0
    9.4463    3.7244   -1.5142 H   0  0  0  0  0
    9.0417    2.5221   -0.2941 H   0  0  0  0  0
    7.7657    1.8864   -2.1193 H   0  0  0  0  0
    5.3340    2.4803   -1.5179 H   0  0  0  0  0
    6.3350    1.6999   -0.2994 H   0  0  0  0  0
    5.5964    4.6641   -0.4328 H   0  0  0  0  0
    5.0878    3.4593    0.7471 H   0  0  0  0  0
    7.1784    1.8380   -7.7810 H   0  0  0  0  0
    6.6020    4.2086   -7.4552 H   0  0  0  0  0
    6.5970    5.1633   -5.1500 H   0  0  0  0  0
    8.1031   -0.2508   -4.8292 H   0  0  0  0  0
    9.3447   -1.9084   -4.9402 H   0  0  0  0  0
   10.0740   -4.2582   -4.9319 H   0  0  0  0  0
    7.5913   -5.1123   -8.3136 H   0  0  0  0  0
    6.8028   -2.7648   -8.3459 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 44  1  0  0  0
 24 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3617557

>  <PubChem CID>
10308815

>  <Formula>
C19H20FN3O2

>  <Molecular Weight>
341.386000

>  <IUPAC Name>
4-fluoro-N-[6-(1-methylpiperidine-4-carbonyl)pyridin-2-yl]benzamide

>  <XlogP>
2.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1CCC(CC1)C(=O)C2=NC(=CC=C2)NC(=O)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
CN1CCC(CC1)C(=O)C2=NC(=CC=C2)NC(=O)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C19H20FN3O2/c1-23-11-9-13(10-12-23)18(24)16-3-2-4-17(21-16)22-19(25)14-5-7-15(20)8-6-14/h2-8,13H,9-12H2,1H3,(H,21,22,25)

>  <InChI Key>
LVHCUDPPWWXJGA-UHFFFAOYSA-N

