
 CHEMBL234827

 49 52  0  0  0  0  0  0  0  0999 V2000
    0.2702    1.5088    0.1446 C   0  0  0  0  0
   -1.2345    1.2284    0.1076 C   0  0  0  0  0
   -1.5897    0.4247   -1.0726 N   0  0  0  0  0
   -0.8823   -0.8666   -1.0367 C   0  0  0  0  0
    0.6310   -0.6665   -1.0464 C   0  0  0  0  0
    1.1042    0.2241    0.1084 C   0  0  0  0  0
    1.0764   -0.4557    1.4063 N   0  0  0  0  0
    1.9494   -1.4878    1.6985 C   0  0  0  0  0
    2.7190   -1.9698    0.8741 O   0  0  0  0  0
    1.9648   -1.9857    3.1067 C   0  0  0  0  0
    3.0850   -2.7145    3.5323 C   0  0  0  0  0
    3.1756   -3.2088    4.8438 C   0  0  0  0  0
    4.2955   -3.9388    5.2737 C   0  0  0  0  0
    4.3730   -4.4215    6.5808 C   0  0  0  0  0
    3.3337   -4.1790    7.4741 C   0  0  0  0  0
    2.2128   -3.4566    7.0612 C   0  0  0  0  0
    2.1176   -2.9668    5.7484 C   0  0  0  0  0
    0.9924   -2.2492    5.3117 C   0  0  0  0  0
    0.9106   -1.7685    3.9999 C   0  0  0  0  0
   -3.0505    0.1801   -1.1337 C   0  0  0  0  0
   -3.9000    1.4259   -1.3217 C   0  0  0  0  0
   -3.7087    2.2521   -2.4287 C   0  0  0  0  0
   -4.5141    3.3779   -2.5764 C   0  0  0  0  0
   -5.4884    3.6472   -1.6234 C   0  0  0  0  0
   -5.6150    2.7772   -0.5541 C   0  0  0  0  0
   -4.8465    1.6798   -0.3803 N   0  0  0  0  0
    0.5353    2.1291   -0.7220 H   0  0  0  0  0
    0.5103    2.0979    1.0379 H   0  0  0  0  0
   -1.7444    2.1983    0.0789 H   0  0  0  0  0
   -1.5460    0.7273    1.0334 H   0  0  0  0  0
   -1.1773   -1.4536   -0.1570 H   0  0  0  0  0
   -1.1484   -1.4566   -1.9226 H   0  0  0  0  0
    1.1214   -1.6453   -1.0289 H   0  0  0  0  0
    0.9186   -0.1947   -1.9956 H   0  0  0  0  0
    2.1535    0.4934   -0.0668 H   0  0  0  0  0
    0.6810    0.0549    2.1827 H   0  0  0  0  0
    3.8976   -2.8971    2.8297 H   0  0  0  0  0
    5.1176   -4.1392    4.5894 H   0  0  0  0  0
    5.2449   -4.9872    6.8995 H   0  0  0  0  0
    3.3938   -4.5542    8.4925 H   0  0  0  0  0
    1.4108   -3.2806    7.7745 H   0  0  0  0  0
    0.1628   -2.0677    5.9922 H   0  0  0  0  0
    0.0059   -1.2513    3.6969 H   0  0  0  0  0
   -3.3872   -0.3527   -0.2344 H   0  0  0  0  0
   -3.2732   -0.4741   -1.9874 H   0  0  0  0  0
   -2.9374    2.0244   -3.1581 H   0  0  0  0  0
   -4.3807    4.0385   -3.4281 H   0  0  0  0  0
   -6.1336    4.5139   -1.7107 H   0  0  0  0  0
   -6.3628    2.9435    0.2159 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 20  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
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 19  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 18  1  0  0  0
 18 19  2  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL234827

>  <PubChem CID>
44431492

>  <Formula>
C22H23N3O

>  <Molecular Weight>
345.446000

>  <IUPAC Name>
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]naphthalene-2-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1NC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=N4

>  <Isomeric SMILES>
C1CN(CCC1NC(=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C22H23N3O/c26-22(19-9-8-17-5-1-2-6-18(17)15-19)24-20-10-13-25(14-11-20)16-21-7-3-4-12-23-21/h1-9,12,15,20H,10-11,13-14,16H2,(H,24,26)

>  <InChI Key>
AOJMRZFTTRWBLI-UHFFFAOYSA-N

