
 CHEMBL217180

 46 48  0  0  0  0  0  0  0  0999 V2000
    4.9932   -4.0440   -1.2442 C   0  0  0  0  0
    4.7168   -2.6270   -1.6515 C   0  0  0  0  0
    5.6203   -1.9748   -2.4877 C   0  0  0  0  0
    5.4805   -0.7079   -2.9231 N   0  0  0  0  0
    4.3899   -0.0453   -2.4897 C   0  0  0  0  0
    3.4306   -0.5738   -1.6276 C   0  0  0  0  0
    3.5947   -1.9050   -1.1972 C   0  0  0  0  0
    2.6530   -2.5370   -0.3551 N   0  0  0  0  0
    1.2657   -2.7133   -0.5179 C   0  0  0  0  0
    0.4920   -3.0197    0.6030 C   0  0  0  0  0
   -0.9040   -3.0821    0.5172 C   0  0  0  0  0
   -1.5873   -2.8366   -0.6843 C   0  0  0  0  0
   -0.7970   -2.5879   -1.8119 C   0  0  0  0  0
    0.6026   -2.5059   -1.7270 C   0  0  0  0  0
   -2.9854   -2.8559   -0.6924 N   0  0  0  0  0
   -3.6214   -1.8670    0.2116 C   0  0  0  0  0
   -3.8661   -0.5231   -0.5186 C   0  0  0  0  0
   -4.6470   -0.6198   -1.7736 N   0  0  0  0  0
   -4.0480   -1.6595   -2.6411 C   0  0  0  0  0
   -3.7274   -3.0151   -1.9599 C   0  0  0  0  0
   -6.0592   -0.8830   -1.5114 C   0  0  0  0  0
    2.2978    0.3129   -1.1988 C   0  0  0  0  0
    4.0819   -4.6493   -1.2778 H   0  0  0  0  0
    5.4084   -4.0683   -0.2318 H   0  0  0  0  0
    5.7119   -4.5187   -1.9211 H   0  0  0  0  0
    6.5150   -2.4754   -2.8497 H   0  0  0  0  0
    4.3108    0.9753   -2.8566 H   0  0  0  0  0
    3.0569   -3.2098    0.2868 H   0  0  0  0  0
    0.9643   -3.1840    1.5677 H   0  0  0  0  0
   -1.4658   -3.3327    1.4141 H   0  0  0  0  0
   -1.2430   -2.4115   -2.7840 H   0  0  0  0  0
    1.1658   -2.2782   -2.6285 H   0  0  0  0  0
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   -4.5762   -2.2814    0.5571 H   0  0  0  0  0
   -4.3505    0.1826    0.1673 H   0  0  0  0  0
   -2.8943   -0.0748   -0.7648 H   0  0  0  0  0
   -4.6926   -1.8382   -3.5110 H   0  0  0  0  0
   -3.1240   -1.2376   -3.0523 H   0  0  0  0  0
   -4.6720   -3.5232   -1.7272 H   0  0  0  0  0
   -3.2004   -3.6813   -2.6532 H   0  0  0  0  0
   -6.6247   -0.8872   -2.4499 H   0  0  0  0  0
   -6.4868   -0.0823   -0.8973 H   0  0  0  0  0
   -6.2376   -1.8356   -1.0033 H   0  0  0  0  0
    1.9094    0.0367   -0.2145 H   0  0  0  0  0
    1.4883    0.2775   -1.9339 H   0  0  0  0  0
    2.6354    1.3520   -1.1118 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 35  1  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
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 20 40  1  0  0  0
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 21 43  1  0  0  0
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 22 45  1  0  0  0
 22 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL217180

>  <PubChem CID>
16090634

>  <Formula>
C18H24N4

>  <Molecular Weight>
296.418000

>  <IUPAC Name>
3,5-dimethyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-4-amine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CN=CC(=C1NC2=CC=C(C=C2)N3CCN(CC3)C)C

>  <Isomeric SMILES>
CC1=CN=CC(=C1NC2=CC=C(C=C2)N3CCN(CC3)C)C

>  <InChI Std. ID>
InChI=1S/C18H24N4/c1-14-12-19-13-15(2)18(14)20-16-4-6-17(7-5-16)22-10-8-21(3)9-11-22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20)

>  <InChI Key>
BDODJZYHQXXMMX-UHFFFAOYSA-N

