
 CHEMBL18270

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.0041   -0.0903   -0.6984 C   0  0  0  0  0
    2.2121    0.0217    0.1176 N   0  0  0  0  0
    2.9724    1.2425   -0.1877 C   0  0  0  0  0
    3.6135    1.2641   -1.5893 C   0  0  0  0  0
    4.2076   -0.0703   -1.9811 C   0  0  0  0  0
    3.9641   -1.1640   -1.2331 C   0  0  0  0  0
    3.0740   -1.1600   -0.0200 C   0  0  0  0  0
    5.0686   -0.1400   -3.1774 C   0  0  0  0  0
    6.0597    0.8049   -3.4401 C   0  0  0  0  0
    6.8643    0.8001   -4.5326 N   0  0  0  0  0
    6.6752   -0.2002   -5.4170 C   0  0  0  0  0
    5.7216   -1.1908   -5.2609 C   0  0  0  0  0
    4.9099   -1.1552   -4.1280 C   0  0  0  0  0
    0.3701    0.7938   -0.5664 H   0  0  0  0  0
    0.4066   -0.9499   -0.3746 H   0  0  0  0  0
    1.2103   -0.2063   -1.7677 H   0  0  0  0  0
    3.7652    1.3494    0.5656 H   0  0  0  0  0
    2.3355    2.1271   -0.0623 H   0  0  0  0  0
    4.3719    2.0542   -1.5931 H   0  0  0  0  0
    2.8562    1.5408   -2.3338 H   0  0  0  0  0
    4.4248   -2.1191   -1.4721 H   0  0  0  0  0
    2.4652   -2.0728   -0.0145 H   0  0  0  0  0
    3.7160   -1.2287    0.8673 H   0  0  0  0  0
    6.2635    1.6195   -2.7512 H   0  0  0  0  0
    7.3302   -0.1838   -6.2833 H   0  0  0  0  0
    5.6074   -1.9708   -6.0050 H   0  0  0  0  0
    4.1450   -1.9174   -4.0020 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  6  2  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 12 13  2  0  0  0
 12 26  1  0  0  0
 13 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL18270

>  <PubChem CID>
21670271

>  <Formula>
C11H14N2

>  <Molecular Weight>
174.247000

>  <IUPAC Name>
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCC(=CC1)C2=CN=CC=C2

>  <Isomeric SMILES>
CN1CCC(=CC1)C2=CN=CC=C2

>  <InChI Std. ID>
InChI=1S/C11H14N2/c1-13-7-4-10(5-8-13)11-3-2-6-12-9-11/h2-4,6,9H,5,7-8H2,1H3

>  <InChI Key>
AHHWWZNACRZOOE-UHFFFAOYSA-N

