
 CHEMBL325475

 47 50  0  0  0  0  0  0  0  0999 V2000
   -0.6084    0.7181    1.3753 C   0  0  0  0  0
    0.0954    1.1655    0.1070 C   0  0  0  0  0
    1.1557    2.1267    0.3719 N   0  0  0  0  0
    2.4716    1.7886    0.6217 C   0  0  0  0  0
    3.1834    2.9786    0.7635 C   0  0  0  0  0
    4.5785    2.9131    0.9948 C   0  0  0  0  0
    5.2310    1.6716    1.0459 C   0  0  0  0  0
    4.4794    0.5042    0.9329 C   0  0  0  0  0
    3.0956    0.5388    0.7275 C   0  0  0  0  0
    6.6360    1.6815    1.1938 N   0  0  0  0  0
    7.4916    0.5984    1.0560 C   0  0  0  0  0
    7.1661   -0.5566    0.8028 O   0  0  0  0  0
    8.9488    0.9877    1.2444 C   0  0  0  0  0
    9.8722   -0.1839    0.9034 C   0  0  0  0  0
   11.3292    0.1130    1.1500 C   0  0  0  0  0
   12.0433   -0.6002    2.1162 C   0  0  0  0  0
   13.3891   -0.3182    2.2942 C   0  0  0  0  0
   14.0616    0.6151    1.5885 N   0  0  0  0  0
   13.3566    1.2897    0.6548 C   0  0  0  0  0
   12.0092    1.0764    0.4003 C   0  0  0  0  0
    2.2540    4.0560    0.6102 C   0  0  0  0  0
    2.3777    5.4619    0.6469 C   0  0  0  0  0
    1.2523    6.2637    0.4304 C   0  0  0  0  0
    0.0118    5.6864    0.1825 C   0  0  0  0  0
   -0.1395    4.2979    0.1461 C   0  0  0  0  0
    0.9967    3.4990    0.3606 C   0  0  0  0  0
   -1.3825   -0.0182    1.1386 H   0  0  0  0  0
   -1.0847    1.5635    1.8822 H   0  0  0  0  0
    0.0940    0.2593    2.0791 H   0  0  0  0  0
   -0.6149    1.6212   -0.5903 H   0  0  0  0  0
    0.5361    0.3084   -0.4130 H   0  0  0  0  0
    5.1330    3.8411    1.0913 H   0  0  0  0  0
    4.9400   -0.4769    1.0034 H   0  0  0  0  0
    2.5405   -0.3895    0.6370 H   0  0  0  0  0
    7.0628    2.5913    1.3228 H   0  0  0  0  0
    9.0902    1.2957    2.2873 H   0  0  0  0  0
    9.1695    1.8483    0.6015 H   0  0  0  0  0
    9.7473   -0.4693   -0.1493 H   0  0  0  0  0
    9.5776   -1.0657    1.4869 H   0  0  0  0  0
   11.5708   -1.3713    2.7156 H   0  0  0  0  0
   13.9795   -0.8569    3.0297 H   0  0  0  0  0
   13.9218    2.0259    0.0925 H   0  0  0  0  0
   11.5117    1.6458   -0.3775 H   0  0  0  0  0
    3.3420    5.9225    0.8372 H   0  0  0  0  0
    1.3500    7.3462    0.4542 H   0  0  0  0  0
   -0.8539    6.3227    0.0122 H   0  0  0  0  0
   -1.1138    3.8609   -0.0481 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  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
  5 21  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 42  1  0  0  0
 20 43  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 45  1  0  0  0
 24 25  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
 25 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL325475

>  <PubChem CID>
10969955

>  <Formula>
C22H21N3O

>  <Molecular Weight>
343.430000

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

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CCC3=CC=NC=C3)C4=CC=CC=C41

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)NC(=O)CCC3=CC=NC=C3)C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C22H21N3O/c1-2-25-20-6-4-3-5-18(20)19-15-17(8-9-21(19)25)24-22(26)10-7-16-11-13-23-14-12-16/h3-6,8-9,11-15H,2,7,10H2,1H3,(H,24,26)

>  <InChI Key>
STJCFOPXJIECBK-UHFFFAOYSA-N

