
 CHEMBL322018

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.0258    1.1508    0.5126 C   0  0  0  0  0
    2.4339    1.0824    1.0496 C   0  0  0  0  0
    2.6295    0.9641    2.2547 O   0  0  0  0  0
    3.3908    1.1535    0.0664 N   0  0  0  0  0
    4.7828    1.0989    0.2017 C   0  0  0  0  0
    5.4268    1.3230   -0.9630 N   0  0  0  0  0
    6.7813    1.3122   -0.8985 C   0  0  0  0  0
    7.4775    1.0672    0.2789 C   0  0  0  0  0
    6.8140    0.8122    1.4734 C   0  0  0  0  0
    5.4214    0.8374    1.4099 C   0  0  0  0  0
    8.8127    1.1395   -0.0207 N   0  0  0  0  0
    8.9799    1.4280   -1.3516 C   0  0  0  0  0
    7.7329    1.5423   -1.9425 C   0  0  0  0  0
    7.3811    1.8473   -3.3810 C   0  0  0  0  0
    6.9912    3.3197   -3.5857 C   0  0  0  0  0
    8.2071    4.2279   -3.7461 C   0  0  0  0  0
    9.0621    3.7873   -4.8500 N   0  0  0  0  0
    9.5648    2.4371   -4.6015 C   0  0  0  0  0
    8.4395    1.4183   -4.4116 C   0  0  0  0  0
    0.9990    1.4528   -0.5378 H   0  0  0  0  0
    0.4577    1.8837    1.0930 H   0  0  0  0  0
    0.5616    0.1657    0.6100 H   0  0  0  0  0
    3.1144    1.3171   -0.8917 H   0  0  0  0  0
    7.3366    0.6132    2.4016 H   0  0  0  0  0
    4.8665    0.6441    2.3207 H   0  0  0  0  0
    9.5618    1.0062    0.6450 H   0  0  0  0  0
    9.9787    1.5238   -1.7526 H   0  0  0  0  0
    6.4857    1.2446   -3.5948 H   0  0  0  0  0
    6.3688    3.6834   -2.7594 H   0  0  0  0  0
    6.3761    3.3960   -4.4928 H   0  0  0  0  0
    7.8687    5.2489   -3.9557 H   0  0  0  0  0
    8.7853    4.2783   -2.8160 H   0  0  0  0  0
    8.5197    3.7899   -5.7141 H   0  0  0  0  0
   10.1804    2.1323   -5.4556 H   0  0  0  0  0
   10.2394    2.4532   -3.7406 H   0  0  0  0  0
    7.9373    1.2893   -5.3804 H   0  0  0  0  0
    8.8647    0.4406   -4.1545 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7 13  1  0  0  0
  7  8  2  0  0  0
  8 11  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 24  1  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
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 16  1  0  0  0
 15 29  1  0  0  0
 15 30  1  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL322018

>  <PubChem CID>
10934159

>  <Formula>
C14H18N4O

>  <Molecular Weight>
258.325000

>  <IUPAC Name>
N-(3-piperidin-4-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)acetamide

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NC1=NC2=C(C=C1)NC=C2C3CCNCC3

>  <Isomeric SMILES>
CC(=O)NC1=NC2=C(C=C1)NC=C2C3CCNCC3

>  <InChI Std. ID>
InChI=1S/C14H18N4O/c1-9(19)17-13-3-2-12-14(18-13)11(8-16-12)10-4-6-15-7-5-10/h2-3,8,10,15-16H,4-7H2,1H3,(H,17,18,19)

>  <InChI Key>
LXZJUOMETYSHFR-UHFFFAOYSA-N

