
 CHEMBL1923732

 50 52  0  0  0  0  0  0  0  0999 V2000
    1.8999   -4.7023    1.5024 C   0  0  0  0  0
    2.6294   -3.3801    1.7122 C   0  0  0  0  0
    3.3391   -3.3538    3.0651 C   0  0  0  0  0
    4.4993   -2.4193    2.8171 C   0  0  0  0  0
    4.9243   -2.8071    1.4153 C   0  0  0  0  0
    3.6876   -3.1685    0.6919 N   0  0  0  0  0
    3.3370   -2.1195   -0.2799 C   0  0  0  0  0
    2.1477   -2.4570   -1.1797 C   0  0  0  0  0
    2.3911   -3.6702   -2.0729 C   0  0  0  0  0
    1.2070   -3.8529   -2.8555 O   0  0  0  0  0
    1.3257   -4.6385   -3.9664 C   0  0  0  0  0
    0.3352   -4.4417   -4.9305 C   0  0  0  0  0
    0.3612   -5.1545   -6.1302 C   0  0  0  0  0
    1.3758   -6.0868   -6.3693 C   0  0  0  0  0
    2.3468   -6.3110   -5.3855 C   0  0  0  0  0
    2.3189   -5.5925   -4.1849 C   0  0  0  0  0
    1.4448   -6.7851   -7.6583 C   0  0  0  0  0
    2.1265   -6.2231   -8.6729 C   0  0  0  0  0
    2.2076   -6.8638   -9.9592 C   0  0  0  0  0
    1.6050   -8.0392  -10.1597 C   0  0  0  0  0
    0.8993   -8.6666   -9.1488 N   0  0  0  0  0
    0.7570   -8.1069   -7.8737 C   0  0  0  0  0
    0.1163   -8.6340   -6.9658 O   0  0  0  0  0
    0.2519   -9.9354   -9.4400 C   0  0  0  0  0
    1.3275   -4.7025    0.5708 H   0  0  0  0  0
    1.1957   -4.8856    2.3209 H   0  0  0  0  0
    2.5989   -5.5454    1.4672 H   0  0  0  0  0
    1.9004   -2.5587    1.7022 H   0  0  0  0  0
    3.7128   -4.3473    3.3429 H   0  0  0  0  0
    2.6876   -2.9962    3.8686 H   0  0  0  0  0
    4.1611   -1.3765    2.8435 H   0  0  0  0  0
    5.3002   -2.5453    3.5508 H   0  0  0  0  0
    5.5133   -2.0165    0.9370 H   0  0  0  0  0
    5.5613   -3.6988    1.4582 H   0  0  0  0  0
    4.1999   -1.9413   -0.9355 H   0  0  0  0  0
    3.1368   -1.1708    0.2357 H   0  0  0  0  0
    1.9382   -1.5908   -1.8215 H   0  0  0  0  0
    1.2319   -2.5991   -0.5944 H   0  0  0  0  0
    2.5726   -4.5696   -1.4755 H   0  0  0  0  0
    3.2570   -3.4734   -2.7174 H   0  0  0  0  0
   -0.4544   -3.7164   -4.7509 H   0  0  0  0  0
   -0.4116   -4.9751   -6.8734 H   0  0  0  0  0
    3.1305   -7.0479   -5.5467 H   0  0  0  0  0
    3.0776   -5.8029   -3.4382 H   0  0  0  0  0
    2.6305   -5.2681   -8.5558 H   0  0  0  0  0
    2.7610   -6.3708  -10.7519 H   0  0  0  0  0
    1.6483   -8.5422  -11.1216 H   0  0  0  0  0
   -0.1414  -10.4091   -8.5365 H   0  0  0  0  0
    0.9754  -10.6149   -9.9021 H   0  0  0  0  0
   -0.5767   -9.7559  -10.1323 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 14  2  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 43  1  0  0  0
 16 44  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 24 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1923732

>  <PubChem CID>
57401087

>  <Formula>
C20H26N2O2

>  <Molecular Weight>
326.440000

>  <IUPAC Name>
1-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CCCN1CCCOC2=CC=C(C=C2)C3=CC=CN(C3=O)C

>  <Isomeric SMILES>
C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C3=CC=CN(C3=O)C

>  <InChI Std. ID>
InChI=1S/C20H26N2O2/c1-16-6-3-13-22(16)14-5-15-24-18-10-8-17(9-11-18)19-7-4-12-21(2)20(19)23/h4,7-12,16H,3,5-6,13-15H2,1-2H3/t16-/m1/s1

>  <InChI Key>
BDBQDYBQZMQOOA-MRXNPFEDSA-N

