
 CHEMBL566248

 49 50  0  0  0  0  0  0  0  0999 V2000
    1.5749    3.1319   -2.0797 C   0  0  0  0  0
    2.9984    2.9229   -1.5813 C   0  0  0  0  0
    3.7522    4.2052   -1.1479 C   0  0  0  0  0
    4.0079    5.1396   -2.3426 C   0  0  0  0  0
    2.9470    4.9950   -0.0944 C   0  0  0  0  0
    5.0756    3.7452   -0.4881 C   0  0  0  0  0
    5.1983    3.7444    0.7365 O   0  0  0  0  0
    6.0378    3.2894   -1.3613 N   0  0  0  0  0
    7.2780    2.7561   -0.9982 C   0  0  0  0  0
    8.2303    2.8954   -1.9398 N   0  0  0  0  0
    9.4775    2.4860   -1.6124 C   0  0  0  0  0
    9.8283    1.8915   -0.4020 C   0  0  0  0  0
    8.7983    1.6542    0.5203 C   0  0  0  0  0
    7.5090    2.1164    0.2102 C   0  0  0  0  0
    9.0110    0.9069    1.8228 C   0  0  0  0  0
    8.6159    1.6673    3.0178 N   0  0  0  0  0
    9.4310    2.8877    3.1963 C   0  0  0  0  0
    9.0691    3.6164    4.4999 C   0  0  0  0  0
    9.2495    2.7599    5.6360 O   0  0  0  0  0
    8.4139    1.6025    5.5054 C   0  0  0  0  0
    8.7464    0.8224    4.2244 C   0  0  0  0  0
   11.2580    1.5250   -0.1417 C   0  0  0  0  0
    1.1481    2.1731   -2.3921 H   0  0  0  0  0
    1.5436    3.8073   -2.9389 H   0  0  0  0  0
    0.9287    3.5334   -1.2936 H   0  0  0  0  0
    3.5671    2.4099   -2.3677 H   0  0  0  0  0
    2.9631    2.2216   -0.7363 H   0  0  0  0  0
    4.4081    4.5990   -3.2072 H   0  0  0  0  0
    4.7272    5.9244   -2.0817 H   0  0  0  0  0
    3.0862    5.6311   -2.6730 H   0  0  0  0  0
    2.6688    4.3605    0.7549 H   0  0  0  0  0
    2.0278    5.4175   -0.5129 H   0  0  0  0  0
    3.5368    5.8309    0.3014 H   0  0  0  0  0
    6.0221    3.5866   -2.3239 H   0  0  0  0  0
   10.2223    2.6689   -2.3834 H   0  0  0  0  0
    6.7050    1.9585    0.9230 H   0  0  0  0  0
   10.0456    0.5590    1.9177 H   0  0  0  0  0
    8.3982   -0.0032    1.7568 H   0  0  0  0  0
    9.2713    3.5836    2.3657 H   0  0  0  0  0
   10.4961    2.6237    3.2203 H   0  0  0  0  0
    9.7245    4.4831    4.6322 H   0  0  0  0  0
    8.0348    3.9810    4.4798 H   0  0  0  0  0
    8.5912    0.9683    6.3800 H   0  0  0  0  0
    7.3614    1.9096    5.5244 H   0  0  0  0  0
    9.7737    0.4423    4.3022 H   0  0  0  0  0
    8.0722   -0.0388    4.1526 H   0  0  0  0  0
   11.9273    1.9744   -0.8831 H   0  0  0  0  0
   11.3873    0.4395   -0.1772 H   0  0  0  0  0
   11.5774    1.9009    0.8362 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  6  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 22  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
 21 46  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 22 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL566248

>  <PubChem CID>
24884489

>  <Formula>
C17H27N3O2

>  <Molecular Weight>
305.422000

>  <IUPAC Name>
2,2-dimethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)pyridin-2-yl]butanamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(C)(C)C(=O)NC1=NC=C(C(=C1)CN2CCOCC2)C

>  <Isomeric SMILES>
CCC(C)(C)C(=O)NC1=NC=C(C(=C1)CN2CCOCC2)C

>  <InChI Std. ID>
InChI=1S/C17H27N3O2/c1-5-17(3,4)16(21)19-15-10-14(13(2)11-18-15)12-20-6-8-22-9-7-20/h10-11H,5-9,12H2,1-4H3,(H,18,19,21)

>  <InChI Key>
HMHCXYKWVOBPPR-UHFFFAOYSA-N

