
 CHEMBL1093709

 49 51  0  0  0  0  0  0  0  0999 V2000
    1.6418    2.3137   -0.3523 C   0  0  0  0  0
    2.2994    2.1483    1.0085 C   0  0  0  0  0
    3.4025    1.1667    1.0031 N   0  0  0  0  0
    3.0612   -0.2462    1.1282 C   0  0  0  0  0
    3.9901   -1.2871    1.0388 C   0  0  0  0  0
    3.7104   -2.6166    1.1679 N   0  0  0  0  0
    2.4346   -2.9704    1.3788 C   0  0  0  0  0
    1.4233   -2.0338    1.4701 C   0  0  0  0  0
    1.7411   -0.6750    1.3363 C   0  0  0  0  0
    2.2586   -4.3137    1.5477 O   0  0  0  0  0
    1.0244   -4.8269    1.0678 C   0  0  0  0  0
    4.7429    1.5854    0.8781 C   0  0  0  0  0
    5.7379    0.8870    1.0669 O   0  0  0  0  0
    4.9981    3.0112    0.5560 C   0  0  0  0  0
    5.1152    3.8972    1.5616 C   0  0  0  0  0
    5.4551    5.2767    1.2981 C   0  0  0  0  0
    5.7659    5.6770    0.0503 C   0  0  0  0  0
    5.6856    4.7623   -0.9762 N   0  0  0  0  0
    5.2932    3.4474   -0.8322 C   0  0  0  0  0
    5.1821    2.7041   -1.8001 O   0  0  0  0  0
    6.1904    7.0636   -0.2535 C   0  0  0  0  0
    5.8439    7.6818   -1.4642 C   0  0  0  0  0
    6.2925    8.9739   -1.7635 C   0  0  0  0  0
    7.0946    9.6777   -0.8657 C   0  0  0  0  0
    7.4283    9.0868    0.3498 C   0  0  0  0  0
    6.9884    7.7900    0.6461 C   0  0  0  0  0
    7.4772   10.9222   -1.2814 O   0  0  0  0  0
    8.5134   11.5502   -0.5341 C   0  0  0  0  0
    0.8235    3.0399   -0.2858 H   0  0  0  0  0
    1.2290    1.3717   -0.7215 H   0  0  0  0  0
    2.3566    2.6780   -1.0953 H   0  0  0  0  0
    1.5674    1.8869    1.7790 H   0  0  0  0  0
    2.6586    3.1281    1.3336 H   0  0  0  0  0
    5.0433   -1.1264    0.8389 H   0  0  0  0  0
    0.3969   -2.3178    1.6653 H   0  0  0  0  0
    0.9093    0.0137    1.4109 H   0  0  0  0  0
    1.0961   -5.9188    1.0613 H   0  0  0  0  0
    0.8209   -4.4976    0.0428 H   0  0  0  0  0
    0.1998   -4.5574    1.7362 H   0  0  0  0  0
    4.9782    3.5948    2.5979 H   0  0  0  0  0
    5.4708    5.9501    2.1491 H   0  0  0  0  0
    5.9398    5.0343   -1.9188 H   0  0  0  0  0
    5.2153    7.1748   -2.1919 H   0  0  0  0  0
    6.0202    9.4315   -2.7120 H   0  0  0  0  0
    8.0317    9.6017    1.0895 H   0  0  0  0  0
    7.2978    7.3515    1.5922 H   0  0  0  0  0
    8.7980   12.4660   -1.0602 H   0  0  0  0  0
    9.4021   10.9126   -0.4715 H   0  0  0  0  0
    8.1602   11.8337    0.4629 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3 12  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 23 24  2  0  0  0
 23 44  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 45  1  0  0  0
 26 46  1  0  0  0
 27 28  1  0  0  0
 28 47  1  0  0  0
 28 48  1  0  0  0
 28 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1093709

>  <PubChem CID>
46883925

>  <Formula>
C21H21N3O4

>  <Molecular Weight>
379.416000

>  <IUPAC Name>
N-ethyl-6-(4-methoxyphenyl)-N-(6-methoxypyridin-3-yl)-2-oxo-1H-pyridine-3-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCN(C1=CN=C(C=C1)OC)C(=O)C2=CC=C(NC2=O)C3=CC=C(C=C3)OC

>  <Isomeric SMILES>
CCN(C1=CN=C(C=C1)OC)C(=O)C2=CC=C(NC2=O)C3=CC=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C21H21N3O4/c1-4-24(15-7-12-19(28-3)22-13-15)21(26)17-10-11-18(23-20(17)25)14-5-8-16(27-2)9-6-14/h5-13H,4H2,1-3H3,(H,23,25)

>  <InChI Key>
AYGBCOPDQGTTDR-UHFFFAOYSA-N

