
 SCHEMBL1897912

 35 37  0  0  0  0  0  0  0  0999 V2000
   -1.1349   -0.5867    0.0921 C   0  0  0  0  0
   -0.4635   -1.8392    0.6091 C   0  0  0  0  0
    0.9711   -1.4496    0.8043 C   0  0  0  0  0
    1.8396   -2.2551    1.1111 O   0  0  0  0  0
    1.0910   -0.0960    0.6192 N   0  0  0  0  0
   -0.0497    0.4479    0.0757 C   0  0  0  0  0
   -0.1907    1.5410   -0.4549 O   0  0  0  0  0
    2.3034    0.6266    0.7588 C   0  0  0  0  0
    2.3555    1.8889    1.3780 C   0  0  0  0  0
    3.5662    2.5888    1.4785 C   0  0  0  0  0
    4.7490    2.0488    0.9732 C   0  0  0  0  0
    4.7093    0.7829    0.3835 C   0  0  0  0  0
    3.5045    0.0745    0.2878 C   0  0  0  0  0
    5.9914    2.7052    1.0234 N   0  0  0  0  0
    6.2645    3.9647    1.5259 C   0  0  0  0  0
    5.4754    4.7216    2.0810 O   0  0  0  0  0
    7.6822    4.3975    1.3223 C   0  0  0  0  0
    8.0517    5.7054    1.6183 C   0  0  0  0  0
    9.3672    6.0860    1.3781 C   0  0  0  0  0
   10.2627    5.1525    0.8658 C   0  0  0  0  0
    9.8061    3.8674    0.6072 C   0  0  0  0  0
    8.5336    3.4613    0.8125 N   0  0  0  0  0
    0.9956    2.5730    2.2114 Cl  0  0  0  0  0
   -1.5143   -0.7366   -0.9234 H   0  0  0  0  0
   -1.9520   -0.2630    0.7429 H   0  0  0  0  0
   -0.5373   -2.6607   -0.1088 H   0  0  0  0  0
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    5.6137    0.3281   -0.0151 H   0  0  0  0  0
    3.5192   -0.9019   -0.1927 H   0  0  0  0  0
    6.8014    2.2384    0.6206 H   0  0  0  0  0
    7.3294    6.4126    2.0131 H   0  0  0  0  0
    9.6885    7.1035    1.5859 H   0  0  0  0  0
   11.2952    5.4223    0.6709 H   0  0  0  0  0
   10.4786    3.1103    0.2119 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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  1 25  1  0  0  0
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  5  8  1  0  0  0
  6  7  2  0  0  0
  8  9  2  0  0  0
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  9 10  1  0  0  0
  9 23  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1897912

>  <PubChem CID>
46869943

>  <Formula>
C16H12ClN3O3

>  <Molecular Weight>
329.740000

>  <IUPAC Name>
N-[3-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyridine-2-carboxamide

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(=O)N(C1=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)Cl

>  <Isomeric SMILES>
C1CC(=O)N(C1=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)Cl

>  <InChI Std. ID>
InChI=1S/C16H12ClN3O3/c17-11-9-10(19-16(23)12-3-1-2-8-18-12)4-5-13(11)20-14(21)6-7-15(20)22/h1-5,8-9H,6-7H2,(H,19,23)

>  <InChI Key>
DTEGRUAPSAGDIZ-UHFFFAOYSA-N

