
 SCHEMBL1991555

 38 40  0  0  0  0  0  0  0  0999 V2000
   -1.6553   -4.1309   -1.2394 C   0  0  0  0  0
   -0.7529   -4.2072   -0.0003 C   0  0  0  0  0
    0.0226   -3.0135    0.1705 O   0  0  0  0  0
   -0.8007   -1.8293    0.2442 C   0  0  0  0  0
   -1.7580   -1.7607   -0.9798 C   0  0  0  0  0
   -2.5718   -2.9785   -1.1857 N   0  0  0  0  0
   -1.3990   -1.6777    1.6379 C   0  0  0  0  0
   -0.5517   -1.7758    2.7542 C   0  0  0  0  0
   -1.0335   -1.5687    4.0528 C   0  0  0  0  0
   -2.3784   -1.2569    4.2728 C   0  0  0  0  0
   -3.2303   -1.1823    3.1721 C   0  0  0  0  0
   -2.7463   -1.3804    1.8713 C   0  0  0  0  0
   -2.7815   -1.0042    5.6050 N   0  0  0  0  0
   -4.0435   -0.6275    6.0288 C   0  0  0  0  0
   -5.0421   -0.4893    5.3324 O   0  0  0  0  0
   -4.1845   -0.3187    7.4776 C   0  0  0  0  0
   -5.1464    0.6245    7.8482 C   0  0  0  0  0
   -5.2837    0.9100    9.1903 C   0  0  0  0  0
   -4.5558    0.3402   10.1665 N   0  0  0  0  0
   -3.6556   -0.5774    9.7729 C   0  0  0  0  0
   -3.4254   -0.9494    8.4607 C   0  0  0  0  0
   -2.7641   -1.2933   11.0511 Cl  0  0  0  0  0
   -6.4313    2.0618    9.7317 Cl  0  0  0  0  0
   -1.0399   -4.0490   -2.1435 H   0  0  0  0  0
   -2.2425   -5.0507   -1.3288 H   0  0  0  0  0
   -0.0495   -5.0386   -0.1125 H   0  0  0  0  0
   -1.3403   -4.3966    0.9055 H   0  0  0  0  0
   -0.1086   -0.9834    0.1344 H   0  0  0  0  0
   -2.4177   -0.8887   -0.9167 H   0  0  0  0  0
   -1.1526   -1.6173   -1.8846 H   0  0  0  0  0
   -3.1810   -3.1004   -0.3759 H   0  0  0  0  0
    0.5040   -2.0047    2.6108 H   0  0  0  0  0
   -0.3323   -1.6439    4.8796 H   0  0  0  0  0
   -4.2848   -0.9486    3.2796 H   0  0  0  0  0
   -3.4566   -1.2745    1.0556 H   0  0  0  0  0
   -2.0333   -1.0210    6.2841 H   0  0  0  0  0
   -5.7667    1.1191    7.1066 H   0  0  0  0  0
   -2.7024   -1.7228    8.2341 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>
SCHEMBL1991555

>  <PubChem CID>
87320890

>  <Formula>
C16H15Cl2N3O2

>  <Molecular Weight>
352.215000

>  <IUPAC Name>
2,6-dichloro-N-[4-[(2R)-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-/m0/s1

>  <InChI Key>
AIXPUCAPNGLHLG-ZDUSSCGKSA-N

