
 CHEMBL3701927

 43 45  0  0  0  0  0  0  0  0999 V2000
    2.9253   -0.9385    0.7090 C   0  0  0  0  0
    2.1633    0.1971    1.1023 O   0  0  0  0  0
    2.9248    1.3438    1.2219 C   0  0  0  0  0
    2.2512    2.4786    1.6441 C   0  0  0  0  0
    2.9690    3.6598    1.7811 C   0  0  0  0  0
    4.3314    3.6618    1.5014 C   0  0  0  0  0
    4.9410    2.4731    1.0969 C   0  0  0  0  0
    4.2423    1.3144    0.9308 N   0  0  0  0  0
    6.4278    2.4694    0.7762 C   0  0  0  0  0
    7.0083    1.1525    1.0176 N   0  0  0  0  0
    8.3427    0.9029    0.7043 C   0  0  0  0  0
    9.3175    1.9033    0.6576 C   0  0  0  0  0
   10.6701    1.5984    0.4533 C   0  0  0  0  0
   11.1001    0.2755    0.3186 C   0  0  0  0  0
   10.1301   -0.7342    0.3982 C   0  0  0  0  0
    8.7780   -0.4212    0.5930 C   0  0  0  0  0
   12.5631   -0.1026    0.1471 C   0  0  0  0  0
   13.4479    0.8611   -0.6945 C   0  0  0  0  0
   13.9192    2.0634    0.0221 N   0  0  0  0  0
   14.5128    1.6548    1.3035 C   0  0  0  0  0
   13.5619    0.7781    2.1301 C   0  0  0  0  0
   13.1732   -0.4033    1.4180 O   0  0  0  0  0
    2.2463   -1.7957    0.6663 H   0  0  0  0  0
    3.7057   -1.1695    1.4426 H   0  0  0  0  0
    3.3518   -0.8016   -0.2907 H   0  0  0  0  0
    1.1903    2.4393    1.8619 H   0  0  0  0  0
    2.4718    4.5702    2.1074 H   0  0  0  0  0
    4.9074    4.5757    1.6074 H   0  0  0  0  0
    6.9208    3.2124    1.4133 H   0  0  0  0  0
    6.5493    2.7585   -0.2747 H   0  0  0  0  0
    6.3599    0.4162    0.7410 H   0  0  0  0  0
    9.0583    2.9462    0.8035 H   0  0  0  0  0
   11.3828    2.4197    0.4388 H   0  0  0  0  0
   10.4223   -1.7802    0.3282 H   0  0  0  0  0
    8.0613   -1.2358    0.6719 H   0  0  0  0  0
   12.5702   -1.0532   -0.4033 H   0  0  0  0  0
   12.9179    1.1673   -1.6032 H   0  0  0  0  0
   14.3393    0.3059   -1.0155 H   0  0  0  0  0
   14.6228    2.5367   -0.5435 H   0  0  0  0  0
   15.4398    1.1032    1.1060 H   0  0  0  0  0
   14.7750    2.5510    1.8753 H   0  0  0  0  0
   14.0720    0.4534    3.0430 H   0  0  0  0  0
   12.6732    1.3361    2.4440 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
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 34  1  0  0  0
 16 35  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701927

>  <PubChem CID>
68325487

>  <Formula>
C17H21N3O2

>  <Molecular Weight>
299.374000

>  <IUPAC Name>
N-[(6-methoxypyridin-2-yl)methyl]-4-[(2S)-morpholin-2-yl]aniline

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC=CC(=N1)CNC2=CC=C(C=C2)C3CNCCO3

>  <Isomeric SMILES>
COC1=CC=CC(=N1)CNC2=CC=C(C=C2)[C@H]3CNCCO3

>  <InChI Std. ID>
InChI=1S/C17H21N3O2/c1-21-17-4-2-3-15(20-17)11-19-14-7-5-13(6-8-14)16-12-18-9-10-22-16/h2-8,16,18-19H,9-12H2,1H3/t16-/m1/s1

>  <InChI Key>
HAXZLYPMPDNFIJ-MRXNPFEDSA-N

