
 SCHEMBL1991690

 37 39  0  0  0  0  0  0  0  0999 V2000
   -1.6001   -1.6515    0.9391 C   0  0  0  0  0
   -2.4474   -1.8952    2.1706 C   0  0  0  0  0
   -1.6558   -2.7845    3.0270 N   0  0  0  0  0
   -0.7110   -3.5063    2.1449 C   0  0  0  0  0
   -0.9568   -3.0112    0.7158 C   0  0  0  0  0
    0.2571   -2.9412   -0.1753 C   0  0  0  0  0
    1.4558   -2.6916    0.3965 N   0  0  0  0  0
    2.5426   -2.5878   -0.4133 C   0  0  0  0  0
    2.4977   -2.7026   -1.7973 C   0  0  0  0  0
    1.2481   -2.9460   -2.3675 C   0  0  0  0  0
    0.1187   -3.0652   -1.5549 C   0  0  0  0  0
    3.6081   -2.5870   -2.6632 N   0  0  0  0  0
    4.9161   -2.3374   -2.2874 C   0  0  0  0  0
    5.3154   -2.1567   -1.1436 O   0  0  0  0  0
    5.9054   -2.2482   -3.4023 C   0  0  0  0  0
    7.0282   -1.4266   -3.2211 C   0  0  0  0  0
    7.9850   -1.3021   -4.2315 C   0  0  0  0  0
    7.8252   -2.0051   -5.4231 C   0  0  0  0  0
    6.7232   -2.8401   -5.6080 C   0  0  0  0  0
    5.7647   -2.9691   -4.5966 C   0  0  0  0  0
    8.9986   -1.8512   -6.6710 Cl  0  0  0  0  0
   -2.1997   -1.3286    0.0820 H   0  0  0  0  0
   -0.8470   -0.8786    1.1386 H   0  0  0  0  0
   -3.3814   -2.4014    1.9004 H   0  0  0  0  0
   -2.7063   -0.9645    2.6848 H   0  0  0  0  0
   -1.0986   -2.2106    3.6635 H   0  0  0  0  0
    0.3083   -3.3197    2.4995 H   0  0  0  0  0
   -0.8843   -4.5856    2.2171 H   0  0  0  0  0
   -1.6966   -3.6826    0.2559 H   0  0  0  0  0
    3.4623   -2.3968    0.1287 H   0  0  0  0  0
    1.1305   -3.0451   -3.4425 H   0  0  0  0  0
   -0.8541   -3.2466   -2.0010 H   0  0  0  0  0
    3.3995   -2.6360   -3.6507 H   0  0  0  0  0
    7.1604   -0.8794   -2.2886 H   0  0  0  0  0
    8.8489   -0.6601   -4.0788 H   0  0  0  0  0
    6.6121   -3.4012   -6.5329 H   0  0  0  0  0
    4.9394   -3.6583   -4.7502 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1991690

>  <PubChem CID>
67239828

>  <Formula>
C16H16ClN3O

>  <Molecular Weight>
301.774000

>  <IUPAC Name>
4-chloro-N-(6-pyrrolidin-3-ylpyridin-3-yl)benzamide

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNCC1C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1CNCC1C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C16H16ClN3O/c17-13-3-1-11(2-4-13)16(21)20-14-5-6-15(19-10-14)12-7-8-18-9-12/h1-6,10,12,18H,7-9H2,(H,20,21)

>  <InChI Key>
ABRIYQXZDGDZAN-UHFFFAOYSA-N

