
 CHEMBL3899145

 65 67  0  0  0  0  0  0  0  0999 V2000
    5.8575   -2.2919    1.3495 C   0  0  0  0  0
    4.7637   -1.3850    0.8697 C   0  0  0  0  0
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    1.3697   -3.7965    0.0399 O   0  0  0  0  0
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   11.0451    7.0695   -2.4273 C   0  0  0  0  0
    5.4798   -3.2928    1.5808 H   0  0  0  0  0
    6.3178   -1.8882    2.2566 H   0  0  0  0  0
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    6.0228    0.3502    0.8849 H   0  0  0  0  0
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    3.4754    2.8267   -0.2877 H   0  0  0  0  0
    6.3741    0.7642   -1.4296 H   0  0  0  0  0
    7.0423    2.0588   -0.4326 H   0  0  0  0  0
    8.4171    1.6913   -2.3984 H   0  0  0  0  0
    7.0179    1.7421   -3.4645 H   0  0  0  0  0
    8.0936    3.8091   -3.7594 H   0  0  0  0  0
    6.4170    5.4718   -2.7671 H   0  0  0  0  0
    5.7347    4.1246   -3.6742 H   0  0  0  0  0
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    9.0323    6.3510    0.3071 H   0  0  0  0  0
   11.8988    4.6207   -1.4620 H   0  0  0  0  0
   10.9165    4.5993    0.0044 H   0  0  0  0  0
   12.1002    5.8812   -0.2332 H   0  0  0  0  0
   11.6144    6.5060   -3.1760 H   0  0  0  0  0
   11.7461    7.7205   -1.8928 H   0  0  0  0  0
   10.3386    7.7092   -2.9689 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4 18  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
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  9 10  2  0  0  0
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 25 26  2  0  0  0
 27 28  1  0  0  0
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 28 31  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3899145

>  <PubChem CID>
129626082

>  <Formula>
C25H34N4O2

>  <Molecular Weight>
422.573000

>  <IUPAC Name>
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-5-methylphenyl]-5-methylpyridine-3-carboxamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=CC(=C1)NC(=O)C2=CC(=CN=C2)C)CN3CCC(CC3)C(=O)NC(C)(C)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)NC(=O)C2=CC(=CN=C2)C)CN3CCC(CC3)C(=O)NC(C)(C)C

>  <InChI Std. ID>
InChI=1S/C25H34N4O2/c1-17-10-19(13-22(12-17)27-23(30)21-11-18(2)14-26-15-21)16-29-8-6-20(7-9-29)24(31)28-25(3,4)5/h10-15,20H,6-9,16H2,1-5H3,(H,27,30)(H,28,31)

>  <InChI Key>
BWTWGWJBTWUAQM-UHFFFAOYSA-N

