
 CHEMBL3797382

 36 37  0  0  0  0  0  0  0  0999 V2000
    1.3966    0.8129    1.4545 C   0  0  0  0  0
    2.6894    0.8051    0.6605 C   0  0  0  0  0
    3.4815    1.9843    0.9545 N   0  0  0  0  0
    4.1955    2.6405   -0.0228 C   0  0  0  0  0
    4.1943    2.2847   -1.1983 O   0  0  0  0  0
    5.0358    3.7988    0.4168 C   0  0  0  0  0
    4.8232    4.4444    1.5832 C   0  0  0  0  0
    5.6391    5.5593    2.0163 C   0  0  0  0  0
    6.6298    6.0003    1.2303 C   0  0  0  0  0
    6.9166    5.4394   -0.0112 N   0  0  0  0  0
    6.1450    4.3605   -0.4748 C   0  0  0  0  0
    6.3751    3.8543   -1.6536 N   0  0  0  0  0
    8.0268    5.9536   -0.8283 C   0  0  0  0  0
    9.3618    5.4332   -0.3365 C   0  0  0  0  0
   10.3203    6.3033    0.2040 C   0  0  0  0  0
   11.5520    5.8143    0.6460 C   0  0  0  0  0
   11.8378    4.4531    0.5550 C   0  0  0  0  0
   10.8960    3.5794    0.0174 C   0  0  0  0  0
    9.6679    4.0669   -0.4297 C   0  0  0  0  0
    5.3168    6.2792    3.5441 Cl  0  0  0  0  0
    0.8250   -0.1007    1.2665 H   0  0  0  0  0
    0.7755    1.6708    1.1759 H   0  0  0  0  0
    1.5941    0.8809    2.5293 H   0  0  0  0  0
    2.4705    0.7470   -0.4104 H   0  0  0  0  0
    3.2948   -0.0660    0.9311 H   0  0  0  0  0
    3.6956    2.1544    1.9262 H   0  0  0  0  0
    4.0178    4.1665    2.2532 H   0  0  0  0  0
    7.2718    6.8262    1.5207 H   0  0  0  0  0
    5.6997    3.0937   -1.8527 H   0  0  0  0  0
    8.0191    7.0512   -0.7904 H   0  0  0  0  0
    7.9176    5.7107   -1.8921 H   0  0  0  0  0
   10.1185    7.3692    0.2811 H   0  0  0  0  0
   12.2911    6.4960    1.0592 H   0  0  0  0  0
   12.7960    4.0735    0.8988 H   0  0  0  0  0
   11.1162    2.5183   -0.0589 H   0  0  0  0  0
    8.9447    3.3745   -0.8575 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  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  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3797382

>  <PubChem CID>
127046766

>  <Formula>
C15H16ClN3O

>  <Molecular Weight>
289.763000

>  <IUPAC Name>
1-benzyl-5-chloro-N-ethyl-2-iminopyridine-3-carboxamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCNC(=O)C1=CC(=CN(C1=N)CC2=CC=CC=C2)Cl

>  <Isomeric SMILES>
CCNC(=O)C1=CC(=CN(C1=N)CC2=CC=CC=C2)Cl

>  <InChI Std. ID>
InChI=1S/C15H16ClN3O/c1-2-18-15(20)13-8-12(16)10-19(14(13)17)9-11-6-4-3-5-7-11/h3-8,10,17H,2,9H2,1H3,(H,18,20)

>  <InChI Key>
ABZUKTGXQOQWLY-UHFFFAOYSA-N

