
 CHEMBL566260

 47 49  0  0  0  0  0  0  0  0999 V2000
    5.6686    3.5468    3.1073 C   0  0  0  0  0
    4.5470    3.7583    2.1043 C   0  0  0  0  0
    3.3758    2.7921    2.2456 C   0  0  0  0  0
    2.1470    3.2538    3.0238 C   0  0  0  0  0
    2.1043    3.2474    1.5282 C   0  0  0  0  0
    3.6316    1.3041    2.2175 C   0  0  0  0  0
    3.3728    0.6637    1.2029 O   0  0  0  0  0
    4.1472    0.8067    3.3844 N   0  0  0  0  0
    4.3856   -0.5362    3.6745 C   0  0  0  0  0
    5.3484   -0.7387    4.5940 N   0  0  0  0  0
    5.6392   -2.0225    4.9029 C   0  0  0  0  0
    4.9596   -3.1309    4.4061 C   0  0  0  0  0
    3.8934   -2.8909    3.5255 C   0  0  0  0  0
    3.6433   -1.5690    3.1248 C   0  0  0  0  0
    2.9658   -3.9882    3.0351 C   0  0  0  0  0
    1.5700   -3.8109    3.4800 N   0  0  0  0  0
    1.4333   -3.8325    4.9538 C   0  0  0  0  0
   -0.0405   -3.7257    5.3790 C   0  0  0  0  0
   -0.8167   -4.7963    4.8244 O   0  0  0  0  0
   -0.7383   -4.7620    3.3939 C   0  0  0  0  0
    0.7177   -4.8804    2.9143 C   0  0  0  0  0
    5.3778   -4.5081    4.8245 C   0  0  0  0  0
    6.4085    4.3506    3.0225 H   0  0  0  0  0
    6.1917    2.6031    2.9225 H   0  0  0  0  0
    5.2925    3.5422    4.1345 H   0  0  0  0  0
    4.9499    3.6818    1.0906 H   0  0  0  0  0
    4.1880    4.7919    2.2204 H   0  0  0  0  0
    2.1719    4.2163    3.5252 H   0  0  0  0  0
    1.5459    2.5100    3.5368 H   0  0  0  0  0
    1.5055    2.4937    1.0276 H   0  0  0  0  0
    2.1155    4.1978    1.0051 H   0  0  0  0  0
    4.5666    1.4350    4.0487 H   0  0  0  0  0
    6.4682   -2.1357    5.5976 H   0  0  0  0  0
    2.8219   -1.3629    2.4415 H   0  0  0  0  0
    3.3342   -4.9772    3.3293 H   0  0  0  0  0
    3.0021   -3.9678    1.9374 H   0  0  0  0  0
    1.9712   -2.9931    5.4060 H   0  0  0  0  0
    1.8538   -4.7643    5.3549 H   0  0  0  0  0
   -0.1178   -3.7921    6.4688 H   0  0  0  0  0
   -0.4755   -2.7667    5.0736 H   0  0  0  0  0
   -1.3225   -5.6053    3.0130 H   0  0  0  0  0
   -1.2060   -3.8399    3.0268 H   0  0  0  0  0
    1.1058   -5.8620    3.2151 H   0  0  0  0  0
    0.7322   -4.8313    1.8191 H   0  0  0  0  0
    6.2434   -4.4796    5.4952 H   0  0  0  0  0
    5.6668   -5.0961    3.9471 H   0  0  0  0  0
    4.5661   -5.0136    5.3547 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  5  1  0  0  0
  3  4  1  0  0  0
  3  6  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 32  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 33  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
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 15 16  1  0  0  0
 15 35  1  0  0  0
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 16 17  1  0  0  0
 17 18  1  0  0  0
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 18 19  1  0  0  0
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 22 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL566260

>  <PubChem CID>
45487781

>  <Formula>
C17H25N3O2

>  <Molecular Weight>
303.406000

>  <IUPAC Name>
1-ethyl-N-[5-methyl-4-(morpholin-4-ylmethyl)pyridin-2-yl]cyclopropane-1-carboxamide

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1(CC1)C(=O)NC2=NC=C(C(=C2)CN3CCOCC3)C

>  <Isomeric SMILES>
CCC1(CC1)C(=O)NC2=NC=C(C(=C2)CN3CCOCC3)C

>  <InChI Std. ID>
InChI=1S/C17H25N3O2/c1-3-17(4-5-17)16(21)19-15-10-14(13(2)11-18-15)12-20-6-8-22-9-7-20/h10-11H,3-9,12H2,1-2H3,(H,18,19,21)

>  <InChI Key>
BZGJXNGJNPKUIC-UHFFFAOYSA-N

