
 CHEMBL418653

 49 51  0  0  0  0  0  0  0  0999 V2000
   -0.7968   -0.3786    1.1193 C   0  0  0  0  0
   -1.5005   -0.1262   -0.0507 C   0  0  0  0  0
   -0.7788    0.1543   -1.1969 C   0  0  0  0  0
    0.5703    0.1978   -1.2443 N   0  0  0  0  0
    1.2518   -0.0456   -0.0958 C   0  0  0  0  0
    0.5947   -0.3395    1.1007 C   0  0  0  0  0
    2.7715    0.0074   -0.1802 C   0  0  0  0  0
    3.3730    1.0916    0.7254 C   0  0  0  0  0
    2.9504    2.4760    0.2884 C   0  0  0  0  0
    3.1864    2.9170   -0.8309 O   0  0  0  0  0
    2.3288    3.2071    1.2771 N   0  0  0  0  0
    1.9140    4.5755    1.0549 C   0  0  0  0  0
    1.2197    5.1492    2.2858 C   0  0  0  0  0
    0.7944    6.6020    2.0707 C   0  0  0  0  0
    0.1031    7.1643    3.3150 C   0  0  0  0  0
   -0.3068    8.5800    3.1234 C   0  0  0  0  0
    0.3430    9.7705    3.3704 C   0  0  0  0  0
   -0.4489   10.8389    3.0396 N   0  0  0  0  0
   -1.5679   10.3169    2.5950 C   0  0  0  0  0
   -1.5310    8.9523    2.6253 N   0  0  0  0  0
    3.3863   -1.3558    0.1235 C   0  0  0  0  0
    3.5842   -2.2748   -0.9071 C   0  0  0  0  0
    4.1063   -3.5287   -0.6030 C   0  0  0  0  0
    4.4077   -3.8406    0.7163 C   0  0  0  0  0
    4.1745   -2.8796    1.6836 C   0  0  0  0  0
    3.6716   -1.6529    1.4211 N   0  0  0  0  0
   -1.3248   -0.6138    2.0387 H   0  0  0  0  0
   -2.5838   -0.1535   -0.0711 H   0  0  0  0  0
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    4.4697    1.0686    0.6735 H   0  0  0  0  0
    3.1141    0.9293    1.7780 H   0  0  0  0  0
    2.2189    2.8022    2.1972 H   0  0  0  0  0
    1.2465    4.5921    0.1857 H   0  0  0  0  0
    2.8062    5.1599    0.8030 H   0  0  0  0  0
    1.8942    5.0868    3.1490 H   0  0  0  0  0
    0.3417    4.5379    2.5297 H   0  0  0  0  0
    0.1185    6.6643    1.2083 H   0  0  0  0  0
    1.6747    7.2105    1.8273 H   0  0  0  0  0
    0.7802    7.0992    4.1758 H   0  0  0  0  0
   -0.7757    6.5550    3.5606 H   0  0  0  0  0
    1.3385    9.9149    3.7705 H   0  0  0  0  0
   -2.4291   10.8687    2.2426 H   0  0  0  0  0
   -2.2759    8.3352    2.3329 H   0  0  0  0  0
    3.3279   -2.0224   -1.9325 H   0  0  0  0  0
    4.2694   -4.2581   -1.3907 H   0  0  0  0  0
    4.8111   -4.8103    0.9848 H   0  0  0  0  0
    4.3891   -3.0773    2.7298 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 30  1  0  0  0
  7 21  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
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  9 11  1  0  0  0
  9 10  2  0  0  0
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 12 35  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
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 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
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 17 43  1  0  0  0
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 22 23  1  0  0  0
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 23 24  2  0  0  0
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 25 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL418653

>  <PubChem CID>
23562989

>  <Formula>
C20H23N5O

>  <Molecular Weight>
349.438000

>  <IUPAC Name>
N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=NC(=C1)C(CC(=O)NCCCCC2=CN=CN2)C3=CC=CC=N3

>  <Isomeric SMILES>
C1=CC=NC(=C1)C(CC(=O)NCCCCC2=CN=CN2)C3=CC=CC=N3

>  <InChI Std. ID>
InChI=1S/C20H23N5O/c26-20(24-12-4-1-7-16-14-21-15-25-16)13-17(18-8-2-5-10-22-18)19-9-3-6-11-23-19/h2-3,5-6,8-11,14-15,17H,1,4,7,12-13H2,(H,21,25)(H,24,26)

>  <InChI Key>
JBXSKUKOMYVPOG-UHFFFAOYSA-N

