
 SCHEMBL1989634

 38 40  0  0  0  0  0  0  0  0999 V2000
   -1.9027   -3.2951   -1.6991 C   0  0  0  0  0
   -0.9486   -3.7478   -0.5860 C   0  0  0  0  0
    0.0337   -2.7470   -0.2888 O   0  0  0  0  0
   -0.5629   -1.4822    0.0747 C   0  0  0  0  0
   -1.5796   -1.0325   -1.0136 C   0  0  0  0  0
   -2.6031   -2.0461   -1.3501 N   0  0  0  0  0
   -1.0202   -1.4995    1.5282 C   0  0  0  0  0
   -0.1258   -1.9517    2.5144 C   0  0  0  0  0
   -0.4626   -1.9130    3.8729 C   0  0  0  0  0
   -1.6983   -1.4104    4.2837 C   0  0  0  0  0
   -2.6010   -0.9810    3.3121 C   0  0  0  0  0
   -2.2652   -1.0207    1.9518 C   0  0  0  0  0
   -1.9510   -1.3436    5.6673 N   0  0  0  0  0
   -3.0376   -0.7759    6.3051 C   0  0  0  0  0
   -4.0191   -0.2608    5.7823 O   0  0  0  0  0
   -2.9274   -0.8021    7.8009 C   0  0  0  0  0
   -1.8499   -1.4600    8.3199 N   0  0  0  0  0
   -1.7527   -1.4693    9.6739 C   0  0  0  0  0
   -2.6629   -0.8514   10.5240 C   0  0  0  0  0
   -3.7443   -0.1813    9.9641 C   0  0  0  0  0
   -3.8863   -0.1564    8.5775 C   0  0  0  0  0
   -2.4573   -0.9077   12.2254 Cl  0  0  0  0  0
   -1.3421   -3.1367   -2.6287 H   0  0  0  0  0
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    0.2569   -0.7521    0.0408 H   0  0  0  0  0
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   -3.1640   -2.2248   -0.5162 H   0  0  0  0  0
    0.8547   -2.3261    2.2231 H   0  0  0  0  0
    0.2680   -2.2592    4.6004 H   0  0  0  0  0
   -3.5795   -0.5947    3.5787 H   0  0  0  0  0
   -3.0026   -0.6476    1.2471 H   0  0  0  0  0
   -1.2322   -1.6971    6.2970 H   0  0  0  0  0
   -0.8949   -2.0050   10.0705 H   0  0  0  0  0
   -4.4762    0.3200   10.5934 H   0  0  0  0  0
   -4.7198    0.3621    8.1129 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  5 29  1  0  0  0
  6 30  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
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 21 38  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1989634

>  <PubChem CID>
53251574

>  <Formula>
C16H16ClN3O2

>  <Molecular Weight>
317.773000

>  <IUPAC Name>
5-chloro-N-(4-morpholin-2-ylphenyl)pyridine-2-carboxamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC(=O)C3=NC=C(C=C3)Cl

>  <Isomeric SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC(=O)C3=NC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C16H16ClN3O2/c17-12-3-6-14(19-9-12)16(21)20-13-4-1-11(2-5-13)15-10-18-7-8-22-15/h1-6,9,15,18H,7-8,10H2,(H,20,21)

>  <InChI Key>
ASRMZZJJYSITLY-UHFFFAOYSA-N

