
 7-Azamelatonin

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.5729   -0.3743   -3.7605 C   0  0  0  0  0
    4.8802    0.6296   -2.8769 C   0  0  0  0  0
    3.6860    0.5426   -2.6125 O   0  0  0  0  0
    5.6953    1.6342   -2.4151 N   0  0  0  0  0
    5.2202    2.6825   -1.5275 C   0  0  0  0  0
    5.7230    2.5093   -0.0908 C   0  0  0  0  0
    7.2050    2.7123    0.0312 C   0  0  0  0  0
    7.8588    3.9272    0.1705 C   0  0  0  0  0
    9.2062    3.6856    0.2315 N   0  0  0  0  0
    9.4436    2.3451    0.1309 C   0  0  0  0  0
   10.6665    1.7856    0.1453 N   0  0  0  0  0
   10.6256    0.4331    0.0334 C   0  0  0  0  0
    9.4777   -0.3473   -0.0894 C   0  0  0  0  0
    8.2396    0.2997   -0.0949 C   0  0  0  0  0
    8.2162    1.7012    0.0150 C   0  0  0  0  0
    9.4205   -1.7076   -0.2093 O   0  0  0  0  0
   10.6633   -2.3953   -0.2843 C   0  0  0  0  0
    6.6448   -0.1757   -3.8420 H   0  0  0  0  0
    5.1330   -0.3329   -4.7601 H   0  0  0  0  0
    5.4372   -1.3732   -3.3376 H   0  0  0  0  0
    6.6873    1.6086   -2.6181 H   0  0  0  0  0
    4.1254    2.6955   -1.5285 H   0  0  0  0  0
    5.5655    3.6329   -1.9487 H   0  0  0  0  0
    5.4510    1.5164    0.2870 H   0  0  0  0  0
    5.2162    3.2401    0.5522 H   0  0  0  0  0
    7.4795    4.9392    0.2298 H   0  0  0  0  0
    9.9383    4.3762    0.3326 H   0  0  0  0  0
   11.6147   -0.0148    0.0509 H   0  0  0  0  0
    7.3196   -0.2697   -0.1809 H   0  0  0  0  0
   10.4489   -3.4620   -0.4023 H   0  0  0  0  0
   11.2400   -2.2707    0.6383 H   0  0  0  0  0
   11.2398   -2.0721   -1.1575 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 15  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
  9 27  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 16 17  1  0  0  0
 17 30  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
M  END

>  <Chemical Name>
7-Azamelatonin

>  <PubChem CID>
19703063

>  <Formula>
C12H15N3O2

>  <Molecular Weight>
233.271000

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

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NCCC1=CNC2=NC=C(C=C12)OC

>  <Isomeric SMILES>
CC(=O)NCCC1=CNC2=NC=C(C=C12)OC

>  <InChI Std. ID>
InChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-12-11(9)5-10(17-2)7-15-12/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15)

>  <InChI Key>
COGBYVKHQGKYBA-UHFFFAOYSA-N

