
 SCHEMBL1990023

 38 40  0  0  0  0  0  0  0  0999 V2000
   -0.6924   -4.0830   -1.1426 C   0  0  0  0  0
    0.3530   -3.6474   -0.1095 C   0  0  0  0  0
    0.5589   -2.2280   -0.1052 O   0  0  0  0  0
   -0.6657   -1.4815    0.0799 C   0  0  0  0  0
   -1.7249   -1.9457   -0.9624 C   0  0  0  0  0
   -1.9827   -3.3995   -0.9414 N   0  0  0  0  0
   -1.1010   -1.4358    1.5442 C   0  0  0  0  0
   -0.1676   -1.6357    2.5740 C   0  0  0  0  0
   -0.5282   -1.5020    3.9202 C   0  0  0  0  0
   -1.8252   -1.1232    4.2766 C   0  0  0  0  0
   -2.7622   -0.9259    3.2653 C   0  0  0  0  0
   -2.4039   -1.0751    1.9172 C   0  0  0  0  0
   -2.0980   -0.9516    5.6516 N   0  0  0  0  0
   -3.2353   -0.3925    6.2051 C   0  0  0  0  0
   -4.1830    0.1004    5.6068 O   0  0  0  0  0
   -3.2656   -0.3477    7.6908 C   0  0  0  0  0
   -3.9092    0.7254    8.3081 C   0  0  0  0  0
   -3.9384    0.7436    9.6871 C   0  0  0  0  0
   -3.3935   -0.2021   10.4737 N   0  0  0  0  0
   -2.8034   -1.2303    9.8398 C   0  0  0  0  0
   -2.7078   -1.3612    8.4676 C   0  0  0  0  0
   -2.1430   -2.4251   10.8774 Cl  0  0  0  0  0
   -4.6942    2.0272   10.5345 Cl  0  0  0  0  0
   -0.3295   -3.8619   -2.1537 H   0  0  0  0  0
   -0.8444   -5.1651   -1.0835 H   0  0  0  0  0
    1.3158   -4.1131   -0.3451 H   0  0  0  0  0
    0.0696   -3.9816    0.8953 H   0  0  0  0  0
   -0.4076   -0.4441   -0.1709 H   0  0  0  0  0
   -2.6737   -1.4143   -0.8449 H   0  0  0  0  0
   -1.3604   -1.6878   -1.9657 H   0  0  0  0  0
   -2.3342   -3.6442   -0.0135 H   0  0  0  0  0
    0.8655   -1.8827    2.3340 H   0  0  0  0  0
    0.2353   -1.6657    4.6757 H   0  0  0  0  0
   -3.7869   -0.6419    3.4862 H   0  0  0  0  0
   -3.1698   -0.8709    1.1734 H   0  0  0  0  0
   -1.3246   -1.1558    6.2702 H   0  0  0  0  0
   -4.3703    1.5175    7.7268 H   0  0  0  0  0
   -2.2440   -2.2379    8.0315 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6 31  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 21 38  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1990023

>  <PubChem CID>
87320651

>  <Formula>
C16H15Cl2N3O2

>  <Molecular Weight>
352.215000

>  <IUPAC Name>
2,6-dichloro-N-(4-morpholin-2-ylphenyl)pyridine-4-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C16H15Cl2N3O2/c17-14-7-11(8-15(18)21-14)16(22)20-12-3-1-10(2-4-12)13-9-19-5-6-23-13/h1-4,7-8,13,19H,5-6,9H2,(H,20,22)

>  <InChI Key>
AIXPUCAPNGLHLG-UHFFFAOYSA-N

