
 NCGC00015922-01

 36 38  0  0  0  0  0  0  0  0999 V2000
    3.1019   -2.8400    1.1261 C   0  0  0  0  0
    3.8433   -1.9175    0.2865 N   0  0  0  0  0
    5.2746   -2.1754    0.0537 C   0  0  0  0  0
    5.9013   -0.8498   -0.4134 C   0  0  0  0  0
    4.9575    0.1221    0.2112 C   0  0  0  0  0
    3.7966   -0.5484    0.6021 C   0  0  0  0  0
    2.7635    0.1650    1.1816 C   0  0  0  0  0
    2.9051    1.5495    1.3700 C   0  0  0  0  0
    4.0686    2.2213    0.9654 C   0  0  0  0  0
    5.1093    1.4912    0.3749 C   0  0  0  0  0
    4.2668    3.6124    1.0978 N   0  0  0  0  0
    3.3973    4.5545    1.6291 C   0  0  0  0  0
    2.2975    4.3143    2.1063 O   0  0  0  0  0
    3.9533    5.8240    1.5397 N   0  0  0  0  0
    3.3664    7.0415    1.9457 C   0  0  0  0  0
    2.1063    7.1799    2.5203 C   0  0  0  0  0
    1.5677    8.3706    2.8961 N   0  0  0  0  0
    2.3157    9.4730    2.6900 C   0  0  0  0  0
    3.5788    9.4449    2.1269 C   0  0  0  0  0
    4.1076    8.2110    1.7517 C   0  0  0  0  0
    3.2969   -3.8706    0.8102 H   0  0  0  0  0
    2.0235   -2.6743    1.0329 H   0  0  0  0  0
    3.3893   -2.7477    2.1793 H   0  0  0  0  0
    5.7523   -2.5018    0.9882 H   0  0  0  0  0
    5.4185   -2.9670   -0.6894 H   0  0  0  0  0
    6.9286   -0.7415   -0.0554 H   0  0  0  0  0
    5.8686   -0.7588   -1.5041 H   0  0  0  0  0
    1.8411   -0.3208    1.4796 H   0  0  0  0  0
    2.0741    2.0786    1.8264 H   0  0  0  0  0
    6.0218    1.9710    0.0385 H   0  0  0  0  0
    5.1456    3.9557    0.7468 H   0  0  0  0  0
    4.8733    5.8924    1.1362 H   0  0  0  0  0
    1.4546    6.3341    2.7109 H   0  0  0  0  0
    1.8581   10.4083    2.9989 H   0  0  0  0  0
    4.1389   10.3618    1.9822 H   0  0  0  0  0
    5.0982    8.1808    1.3077 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
NCGC00015922-01

>  <PubChem CID>
6603998

>  <Formula>
C15H16N4O

>  <Molecular Weight>
268.320000

>  <IUPAC Name>
1-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridin-3-ylurea

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3

>  <Isomeric SMILES>
CN1CCC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3

>  <InChI Std. ID>
InChI=1S/C15H16N4O/c1-19-8-6-11-9-12(4-5-14(11)19)17-15(20)18-13-3-2-7-16-10-13/h2-5,7,9-10H,6,8H2,1H3,(H2,17,18,20)

>  <InChI Key>
AVGWYMLCNKIXFE-UHFFFAOYSA-N

