
 CHEMBL3655594

 38 40  0  0  0  0  0  0  0  0999 V2000
    9.8456   -0.2905   -6.7057 C   0  0  0  0  0
    9.9950    0.0849   -5.2621 C   0  0  0  0  0
   10.2084   -0.9188   -4.3787 N   0  0  0  0  0
   10.2771   -0.5849   -3.0666 C   0  0  0  0  0
   10.1297    0.7055   -2.5810 C   0  0  0  0  0
    9.9574    1.7269   -3.5131 C   0  0  0  0  0
    9.8652    1.4132   -4.8681 C   0  0  0  0  0
   10.2302    0.8840   -1.2232 O   0  0  0  0  0
    9.4789    1.8944   -0.6445 C   0  0  0  0  0
    8.2777    2.2336   -1.1752 N   0  0  0  0  0
    7.6878    3.3213   -0.6382 C   0  0  0  0  0
    8.2381    3.9781    0.4623 C   0  0  0  0  0
    9.3971    3.5846    1.0532 N   0  0  0  0  0
   10.0115    2.5341    0.4644 C   0  0  0  0  0
    6.5190    3.7200   -1.2932 N   0  0  0  0  0
    6.0197    5.0010   -1.2947 C   0  0  0  0  0
    6.5284    5.9735   -0.7572 O   0  0  0  0  0
    4.7877    5.1945   -2.0943 C   0  0  0  0  0
    3.7044    4.3187   -1.9657 C   0  0  0  0  0
    2.5304    4.5643   -2.6786 C   0  0  0  0  0
    2.4438    5.6737   -3.5242 C   0  0  0  0  0
    3.5308    6.5458   -3.6600 C   0  0  0  0  0
    4.7034    6.3099   -2.9368 C   0  0  0  0  0
    3.4386    7.6792   -4.5356 C   0  0  0  0  0
    3.3619    8.5870   -5.2514 N   0  0  0  0  0
   10.2575   -1.2875   -6.8909 H   0  0  0  0  0
   10.3771    0.4186   -7.3481 H   0  0  0  0  0
    8.7859   -0.2959   -6.9789 H   0  0  0  0  0
   10.4557   -1.4172   -2.3923 H   0  0  0  0  0
    9.8745    2.7650   -3.2058 H   0  0  0  0  0
    9.6920    2.1968   -5.5988 H   0  0  0  0  0
    7.7604    4.8340    0.9256 H   0  0  0  0  0
   10.9602    2.2347    0.8942 H   0  0  0  0  0
    6.2058    3.0598   -1.9928 H   0  0  0  0  0
    3.7499    3.4708   -1.2862 H   0  0  0  0  0
    1.6750    3.9014   -2.5645 H   0  0  0  0  0
    1.5189    5.8582   -4.0695 H   0  0  0  0  0
    5.5500    6.9910   -3.0198 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 14 33  1  0  0  0
 15 16  1  0  0  0
 15 34  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  2  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
 21 37  1  0  0  0
 22 23  2  0  0  0
 22 24  1  0  0  0
 23 38  1  0  0  0
 24 25  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL3655594

>  <PubChem CID>
58349077

>  <Formula>
C18H13N5O2

>  <Molecular Weight>
331.335000

>  <IUPAC Name>
3-cyano-N-[6-(6-methylpyridin-3-yl)oxypyrazin-2-yl]benzamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC=C(C=C1)OC2=NC(=CN=C2)NC(=O)C3=CC=CC(=C3)C#N

>  <Isomeric SMILES>
CC1=NC=C(C=C1)OC2=NC(=CN=C2)NC(=O)C3=CC=CC(=C3)C#N

>  <InChI Std. ID>
InChI=1S/C18H13N5O2/c1-12-5-6-15(9-21-12)25-17-11-20-10-16(22-17)23-18(24)14-4-2-3-13(7-14)8-19/h2-7,9-11H,1H3,(H,22,23,24)

>  <InChI Key>
AIEYCJQSSISNCJ-UHFFFAOYSA-N

