
 CHEMBL138468

 31 32  0  0  0  0  0  0  0  0999 V2000
    5.7398   -1.5578    2.6092 C   0  0  0  0  0
    5.1225   -0.5319    1.7003 C   0  0  0  0  0
    4.3642   -0.8353    0.7846 O   0  0  0  0  0
    5.5251    0.7560    1.9618 N   0  0  0  0  0
    5.0909    1.8732    1.1420 C   0  0  0  0  0
    5.8121    1.9591   -0.2079 C   0  0  0  0  0
    7.2807    2.2036   -0.0693 C   0  0  0  0  0
    7.9071    3.4247    0.0866 C   0  0  0  0  0
    9.2511    3.2748    0.1901 O   0  0  0  0  0
    9.5149    1.9408    0.0891 C   0  0  0  0  0
    8.3294    1.2314   -0.0738 C   0  0  0  0  0
    8.4038   -0.1630   -0.1988 C   0  0  0  0  0
    9.6750   -0.7222   -0.1414 C   0  0  0  0  0
   10.8249   -0.0257    0.0166 N   0  0  0  0  0
   10.7642    1.3294    0.1251 C   0  0  0  0  0
   11.9137    2.0719    0.2958 O   0  0  0  0  0
   13.0796    1.3604   -0.1020 C   0  0  0  0  0
    5.8658   -1.1565    3.6185 H   0  0  0  0  0
    6.7122   -1.8558    2.2091 H   0  0  0  0  0
    5.0856   -2.4323    2.6676 H   0  0  0  0  0
    6.2990    0.9063    2.5977 H   0  0  0  0  0
    5.2557    2.7825    1.7305 H   0  0  0  0  0
    4.0133    1.7718    0.9706 H   0  0  0  0  0
    5.3702    2.7769   -0.7911 H   0  0  0  0  0
    5.6455    1.0427   -0.7864 H   0  0  0  0  0
    7.5519    4.4449    0.1419 H   0  0  0  0  0
    7.5232   -0.7795   -0.3373 H   0  0  0  0  0
    9.8042   -1.7988   -0.2271 H   0  0  0  0  0
   13.9317    2.0416   -0.0147 H   0  0  0  0  0
   13.0119    1.0453   -1.1495 H   0  0  0  0  0
   13.2699    0.5042    0.5541 H   0  0  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 29  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL138468

>  <PubChem CID>
19703053

>  <Formula>
C12H14N2O3

>  <Molecular Weight>
234.255000

>  <IUPAC Name>
N-[2-(7-methoxyfuro[2,3-c]pyridin-3-yl)ethyl]acetamide

>  <XlogP>
1.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)NCCC1=COC2=C1C=CN=C2OC

>  <Isomeric SMILES>
CC(=O)NCCC1=COC2=C1C=CN=C2OC

>  <InChI Std. ID>
InChI=1S/C12H14N2O3/c1-8(15)13-5-3-9-7-17-11-10(9)4-6-14-12(11)16-2/h4,6-7H,3,5H2,1-2H3,(H,13,15)

>  <InChI Key>
BBESWRZUFKHHNS-UHFFFAOYSA-N

