
 CHEMBL116210

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.3442    0.4104    0.1867 C   0  0  0  0  0
    1.8197    0.2032    0.2565 C   0  0  0  0  0
    2.2988   -0.9177    0.4051 O   0  0  0  0  0
    2.6677    1.3411    0.1455 N   0  0  0  0  0
    4.0754    1.2586    0.1537 C   0  0  0  0  0
    4.5965    2.5427    0.0288 C   0  0  0  0  0
    6.0007    2.7264    0.0056 C   0  0  0  0  0
    6.8704    1.6305    0.0816 C   0  0  0  0  0
    6.3323    0.3579    0.2120 C   0  0  0  0  0
    4.9457    0.1537    0.2545 C   0  0  0  0  0
    8.2544    1.9007    0.0182 N   0  0  0  0  0
    9.2882    0.9801   -0.0581 C   0  0  0  0  0
    9.1779   -0.2394   -0.0930 O   0  0  0  0  0
   10.6438    1.6642   -0.0940 C   0  0  0  0  0
   11.7731    0.6611   -0.3209 C   0  0  0  0  0
   13.1230    1.3310   -0.3120 C   0  0  0  0  0
   13.8464    1.4586    0.8764 C   0  0  0  0  0
   15.0778    2.0945    0.8399 C   0  0  0  0  0
   15.6250    2.6097   -0.2814 N   0  0  0  0  0
   14.9102    2.4758   -1.4187 C   0  0  0  0  0
   13.6710    1.8568   -1.4843 C   0  0  0  0  0
    3.5036    3.4434   -0.0643 C   0  0  0  0  0
    3.4491    4.8492   -0.2120 C   0  0  0  0  0
    2.2217    5.5030   -0.2892 C   0  0  0  0  0
    1.0494    4.7723   -0.2174 C   0  0  0  0  0
    1.0767    3.3801   -0.0688 C   0  0  0  0  0
    2.3157    2.7015    0.0054 C   0  0  0  0  0
   -0.0037    0.9998    1.0376 H   0  0  0  0  0
   -0.1484   -0.5662    0.2541 H   0  0  0  0  0
    0.0577    0.8415   -0.7750 H   0  0  0  0  0
    6.3899    3.7351   -0.0944 H   0  0  0  0  0
    6.9635   -0.5225    0.2919 H   0  0  0  0  0
    4.5761   -0.8634    0.3572 H   0  0  0  0  0
    8.5121    2.8784   -0.0263 H   0  0  0  0  0
   10.7847    2.1880    0.8594 H   0  0  0  0  0
   10.6393    2.4139   -0.8947 H   0  0  0  0  0
   11.6310    0.1396   -1.2766 H   0  0  0  0  0
   11.7524   -0.1221    0.4479 H   0  0  0  0  0
   13.4665    1.0669    1.8143 H   0  0  0  0  0
   15.6743    2.2086    1.7406 H   0  0  0  0  0
   15.3747    2.8924   -2.3077 H   0  0  0  0  0
   13.1521    1.7836   -2.4343 H   0  0  0  0  0
    4.3675    5.4270   -0.2695 H   0  0  0  0  0
    2.1878    6.5828   -0.4061 H   0  0  0  0  0
    0.0916    5.2855   -0.2776 H   0  0  0  0  0
    0.1201    2.8769   -0.0185 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 32  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
 22 27  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23 43  1  0  0  0
 24 25  2  0  0  0
 24 44  1  0  0  0
 25 26  1  0  0  0
 25 45  1  0  0  0
 26 27  2  0  0  0
 26 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL116210

>  <PubChem CID>
11824465

>  <Formula>
C22H19N3O2

>  <Molecular Weight>
357.413000

>  <IUPAC Name>
N-(9-acetylcarbazol-3-yl)-3-pyridin-4-ylpropanamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)N1C2=C(C=C(C=C2)NC(=O)CCC3=CC=NC=C3)C4=CC=CC=C41

>  <Isomeric SMILES>
CC(=O)N1C2=C(C=C(C=C2)NC(=O)CCC3=CC=NC=C3)C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C22H19N3O2/c1-15(26)25-20-5-3-2-4-18(20)19-14-17(7-8-21(19)25)24-22(27)9-6-16-10-12-23-13-11-16/h2-5,7-8,10-14H,6,9H2,1H3,(H,24,27)

>  <InChI Key>
BLJIZWQCQUDUGF-UHFFFAOYSA-N

