
 CHEMBL567731

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.9122    2.4586   -6.2570 C   0  0  0  0  0
    2.4346    1.6579   -5.0522 C   0  0  0  0  0
    3.0118    2.0913   -3.6798 C   0  0  0  0  0
    2.6193    3.5494   -3.3222 C   0  0  0  0  0
    2.1711    3.5142   -1.8685 C   0  0  0  0  0
    1.4330    2.1968   -1.7794 C   0  0  0  0  0
    2.3332    1.2434   -2.5537 C   0  0  0  0  0
    4.5336    1.7937   -3.6772 C   0  0  0  0  0
    4.9554    0.7035   -3.2911 O   0  0  0  0  0
    5.3330    2.7719   -4.2181 N   0  0  0  0  0
    6.7183    2.7244   -4.3845 C   0  0  0  0  0
    7.2889    3.9398   -4.4794 N   0  0  0  0  0
    8.6369    3.9788   -4.5620 C   0  0  0  0  0
    9.4658    2.8594   -4.6069 C   0  0  0  0  0
    8.8418    1.6024   -4.6312 C   0  0  0  0  0
    7.4447    1.5484   -4.4808 C   0  0  0  0  0
    9.5920    0.2993   -4.8408 C   0  0  0  0  0
    9.1829   -0.4162   -6.0646 N   0  0  0  0  0
    9.4513    0.3349   -7.3115 C   0  0  0  0  0
   10.9375    0.4022   -7.6928 C   0  0  0  0  0
   11.5075   -0.9082   -7.8013 O   0  0  0  0  0
   11.3425   -1.6386   -6.5801 C   0  0  0  0  0
    9.8605   -1.7278   -6.1687 C   0  0  0  0  0
   10.9488    3.0575   -4.6768 C   0  0  0  0  0
    2.3460    2.1585   -7.1462 H   0  0  0  0  0
    3.9679    2.2700   -6.4715 H   0  0  0  0  0
    2.7693    3.5341   -6.1178 H   0  0  0  0  0
    2.6753    0.6022   -5.2316 H   0  0  0  0  0
    1.3396    1.7212   -5.0161 H   0  0  0  0  0
    1.7702    3.8774   -3.9359 H   0  0  0  0  0
    3.4036    4.2968   -3.4459 H   0  0  0  0  0
    3.0409    3.5179   -1.2005 H   0  0  0  0  0
    1.5349    4.3660   -1.6111 H   0  0  0  0  0
    1.2784    1.8747   -0.7461 H   0  0  0  0  0
    0.4537    2.2721   -2.2657 H   0  0  0  0  0
    3.0692    0.8332   -1.8510 H   0  0  0  0  0
    1.7596    0.3945   -2.9422 H   0  0  0  0  0
    4.9842    3.7087   -4.3428 H   0  0  0  0  0
    9.0521    4.9834   -4.5882 H   0  0  0  0  0
    6.9493    0.5824   -4.4868 H   0  0  0  0  0
    9.3719   -0.3290   -3.9684 H   0  0  0  0  0
   10.6720    0.4610   -4.8243 H   0  0  0  0  0
    9.0242    1.3431   -7.2753 H   0  0  0  0  0
    8.9147   -0.1812   -8.1185 H   0  0  0  0  0
   11.0450    0.8891   -8.6679 H   0  0  0  0  0
   11.5187    0.9858   -6.9704 H   0  0  0  0  0
   11.7383   -2.6448   -6.7462 H   0  0  0  0  0
   11.9525   -1.1729   -5.7988 H   0  0  0  0  0
    9.3271   -2.3112   -6.9313 H   0  0  0  0  0
    9.7617   -2.2902   -5.2324 H   0  0  0  0  0
   11.2328    4.0311   -4.2579 H   0  0  0  0  0
   11.2901    3.0168   -5.7133 H   0  0  0  0  0
   11.4803    2.3081   -4.0834 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  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  7  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 14 24  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 23  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL567731

>  <PubChem CID>
45487684

>  <Formula>
C19H29N3O2

>  <Molecular Weight>
331.460000

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

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1(CCCC1)C(=O)NC2=NC=C(C(=C2)CN3CCOCC3)C

>  <Isomeric SMILES>
CCC1(CCCC1)C(=O)NC2=NC=C(C(=C2)CN3CCOCC3)C

>  <InChI Std. ID>
InChI=1S/C19H29N3O2/c1-3-19(6-4-5-7-19)18(23)21-17-12-16(15(2)13-20-17)14-22-8-10-24-11-9-22/h12-13H,3-11,14H2,1-2H3,(H,20,21,23)

>  <InChI Key>
CKHBCJGIALZZLQ-UHFFFAOYSA-N

