
 SCHEMBL1990021

 38 40  0  0  0  0  0  0  0  0999 V2000
   -1.7872   -3.5047   -1.4875 C   0  0  0  0  0
   -0.7417   -3.7231   -0.3857 C   0  0  0  0  0
    0.0402   -2.5447   -0.1513 O   0  0  0  0  0
   -0.7759   -1.3992    0.1767 C   0  0  0  0  0
   -1.8785   -1.1937   -0.9006 C   0  0  0  0  0
   -2.7007   -2.3935   -1.1678 N   0  0  0  0  0
   -1.1940   -1.4387    1.6420 C   0  0  0  0  0
   -0.2111   -1.6676    2.6189 C   0  0  0  0  0
   -0.5199   -1.6265    3.9842 C   0  0  0  0  0
   -1.8218   -1.3511    4.4120 C   0  0  0  0  0
   -2.8096   -1.1534    3.4489 C   0  0  0  0  0
   -2.4990   -1.1881    2.0816 C   0  0  0  0  0
   -2.0426   -1.2621    5.8064 N   0  0  0  0  0
   -3.2250   -0.9176    6.4390 C   0  0  0  0  0
   -4.2957   -0.6590    5.9024 O   0  0  0  0  0
   -3.1648   -0.8100    7.9196 C   0  0  0  0  0
   -2.3204   -1.6002    8.6958 C   0  0  0  0  0
   -2.3571   -1.4094   10.0651 C   0  0  0  0  0
   -3.1473   -0.5243   10.6972 N   0  0  0  0  0
   -3.9644    0.2030    9.9152 C   0  0  0  0  0
   -4.0186    0.1050    8.5406 C   0  0  0  0  0
   -4.9660    1.3072   10.7592 Cl  0  0  0  0  0
   -1.3455   -2.3288   11.1008 Cl  0  0  0  0  0
   -1.2859   -3.2861   -2.4382 H   0  0  0  0  0
   -2.3723   -4.4188   -1.6319 H   0  0  0  0  0
   -0.0512   -4.5163   -0.6902 H   0  0  0  0  0
   -1.2142   -4.0429    0.5501 H   0  0  0  0  0
   -0.1081   -0.5311    0.0933 H   0  0  0  0  0
   -2.5328   -0.3545   -0.6416 H   0  0  0  0  0
   -1.3912   -0.9166   -1.8449 H   0  0  0  0  0
   -3.2034   -2.6366   -0.3134 H   0  0  0  0  0
    0.8161   -1.8660    2.3146 H   0  0  0  0  0
    0.2815   -1.7958    4.6979 H   0  0  0  0  0
   -3.8398   -0.9460    3.7214 H   0  0  0  0  0
   -3.3077   -0.9921    1.3825 H   0  0  0  0  0
   -1.2135   -1.3695    6.3736 H   0  0  0  0  0
   -1.6766   -2.3591    8.2691 H   0  0  0  0  0
   -4.7018    0.7206    7.9641 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>
SCHEMBL1990021

>  <PubChem CID>
87320650

>  <Formula>
C16H15Cl2N3O2

>  <Molecular Weight>
352.215000

>  <IUPAC Name>
2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]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>
C1CO[C@H](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)/t13-/m1/s1

>  <InChI Key>
AIXPUCAPNGLHLG-CYBMUJFWSA-N

