
 CHEMBL17605

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.0226    0.1512   -0.7005 C   0  0  0  0  0
    2.2182   -0.0668    0.1126 N   0  0  0  0  0
    3.1526    1.0644    0.0372 C   0  0  0  0  0
    3.8140    1.2600   -1.3411 C   0  0  0  0  0
    4.2163   -0.0394   -2.0018 C   0  0  0  0  0
    3.7960   -1.2046   -1.4675 C   0  0  0  0  0
    2.9068   -1.3096   -0.2617 C   0  0  0  0  0
    5.0631   -0.0081   -3.2234 C   0  0  0  0  0
    5.4839    1.1811   -3.8178 C   0  0  0  0  0
    6.2724    1.1333   -4.9678 C   0  0  0  0  0
    6.6209   -0.0965   -5.5050 C   0  0  0  0  0
    6.1648   -1.2328   -4.8646 C   0  0  0  0  0
    5.4037   -1.2132   -3.7481 N   0  0  0  0  0
    0.5162    1.0743   -0.3962 H   0  0  0  0  0
    0.3043   -0.6614   -0.5428 H   0  0  0  0  0
    1.2305    0.2140   -1.7739 H   0  0  0  0  0
    3.9392    0.9100    0.7891 H   0  0  0  0  0
    2.6488    1.9926    0.3363 H   0  0  0  0  0
    4.6911    1.9008   -1.1925 H   0  0  0  0  0
    3.1200    1.7944   -2.0016 H   0  0  0  0  0
    4.0953   -2.1536   -1.9081 H   0  0  0  0  0
    2.1757   -2.1118   -0.4183 H   0  0  0  0  0
    3.5245   -1.6352    0.5844 H   0  0  0  0  0
    5.2123    2.1491   -3.4131 H   0  0  0  0  0
    6.6079    2.0524   -5.4387 H   0  0  0  0  0
    7.2295   -0.1694   -6.3985 H   0  0  0  0  0
    6.4038   -2.2235   -5.2416 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
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL17605

>  <PubChem CID>
15357024

>  <Formula>
C11H14N2

>  <Molecular Weight>
174.247000

>  <IUPAC Name>
2-(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=CC=CC=N2

>  <Isomeric SMILES>
CN1CCC(=CC1)C2=CC=CC=N2

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

>  <InChI Key>
IVVNPYFQUBPSOL-UHFFFAOYSA-N

