
 CHEMBL3701983

 42 44  0  0  0  0  0  0  0  0999 V2000
    6.6486    2.0386    3.9104 C   0  0  0  0  0
    6.6686    1.6708    2.4559 C   0  0  0  0  0
    5.7375    2.2574    1.5850 C   0  0  0  0  0
    5.7337    1.9330    0.2271 C   0  0  0  0  0
    6.5901    1.0280   -0.2854 N   0  0  0  0  0
    7.4786    0.4574    0.5641 C   0  0  0  0  0
    7.5592    0.7407    1.9213 C   0  0  0  0  0
    8.8543   -0.1598    2.9665 Br  0  0  0  0  0
    4.7986    2.4718   -0.6598 N   0  0  0  0  0
    4.1823    3.7379   -0.6773 C   0  0  0  0  0
    2.9149    3.8909   -1.2716 C   0  0  0  0  0
    2.2685    5.1425   -1.2344 C   0  0  0  0  0
    2.8702    6.2646   -0.6476 C   0  0  0  0  0
    4.1655    6.1119   -0.1322 C   0  0  0  0  0
    4.8045    4.8691   -0.1371 C   0  0  0  0  0
    2.2051    7.6378   -0.6082 C   0  0  0  0  0
    0.6625    7.7146   -0.7986 C   0  0  0  0  0
   -0.1039    7.2216    0.3628 N   0  0  0  0  0
    0.3466    7.9463    1.5608 C   0  0  0  0  0
    1.8682    7.8736    1.7429 C   0  0  0  0  0
    2.5691    8.3651    0.5900 O   0  0  0  0  0
    2.2048    2.7186   -1.8972 C   0  0  0  0  0
    5.9476    2.8578    4.1065 H   0  0  0  0  0
    7.6363    2.3796    4.2376 H   0  0  0  0  0
    6.3353    1.1817    4.5159 H   0  0  0  0  0
    4.9983    2.9547    1.9689 H   0  0  0  0  0
    8.1442   -0.2644    0.0985 H   0  0  0  0  0
    4.9743    2.0975   -1.5867 H   0  0  0  0  0
    1.2737    5.2182   -1.6648 H   0  0  0  0  0
    4.6843    6.9676    0.2974 H   0  0  0  0  0
    5.8070    4.8030    0.2768 H   0  0  0  0  0
    2.6515    8.2005   -1.4392 H   0  0  0  0  0
    0.3442    7.1776   -1.6979 H   0  0  0  0  0
    0.3874    8.7669   -0.9556 H   0  0  0  0  0
   -1.0958    7.4006    0.2153 H   0  0  0  0  0
    0.0407    8.9961    1.4771 H   0  0  0  0  0
   -0.1486    7.5278    2.4436 H   0  0  0  0  0
    2.1649    8.4997    2.5917 H   0  0  0  0  0
    2.1908    6.8503    1.9689 H   0  0  0  0  0
    1.2938    3.0323   -2.4163 H   0  0  0  0  0
    1.9237    1.9930   -1.1281 H   0  0  0  0  0
    2.8460    2.2343   -2.6402 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 22  1  0  0  0
 12 13  2  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 30  1  0  0  0
 15 31  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 20 39  1  0  0  0
 22 40  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701983

>  <PubChem CID>
68325823

>  <Formula>
C17H20BrN3O

>  <Molecular Weight>
362.271000

>  <IUPAC Name>
5-bromo-4-methyl-N-(2-methyl-4-morpholin-2-ylphenyl)pyridin-2-amine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=NC=C1Br)NC2=C(C=C(C=C2)C3CNCCO3)C

>  <Isomeric SMILES>
CC1=CC(=NC=C1Br)NC2=C(C=C(C=C2)C3CNCCO3)C

>  <InChI Std. ID>
InChI=1S/C17H20BrN3O/c1-11-8-17(20-9-14(11)18)21-15-4-3-13(7-12(15)2)16-10-19-5-6-22-16/h3-4,7-9,16,19H,5-6,10H2,1-2H3,(H,20,21)

>  <InChI Key>
IASSALYJNQOLQY-UHFFFAOYSA-N

