
 CHEMBL3701938

 40 42  0  0  0  0  0  0  0  0999 V2000
    4.7344   -0.2213    2.5873 C   0  0  0  0  0
    3.8621    0.9005    2.5541 O   0  0  0  0  0
    4.1115    1.8509    1.6039 C   0  0  0  0  0
    3.1524    2.8552    1.5178 C   0  0  0  0  0
    3.2871    3.8573    0.5632 C   0  0  0  0  0
    4.3574    3.9225   -0.2541 N   0  0  0  0  0
    5.2839    2.9453   -0.1451 C   0  0  0  0  0
    5.2055    1.8937    0.7528 C   0  0  0  0  0
    2.3309    4.8732    0.4266 N   0  0  0  0  0
    0.9260    4.7589    0.4481 C   0  0  0  0  0
    0.2550    3.5522    0.2321 C   0  0  0  0  0
   -1.1410    3.4918    0.2666 C   0  0  0  0  0
   -1.9106    4.6401    0.5089 C   0  0  0  0  0
   -1.2376    5.8535    0.6964 C   0  0  0  0  0
    0.1611    5.9106    0.6598 C   0  0  0  0  0
   -3.4252    4.5021    0.5453 C   0  0  0  0  0
   -4.2683    5.7320    0.9834 C   0  0  0  0  0
   -4.3664    6.7938   -0.0383 N   0  0  0  0  0
   -4.8060    6.1942   -1.3079 C   0  0  0  0  0
   -3.9323    5.0030   -1.7245 C   0  0  0  0  0
   -3.9123    3.9862   -0.7126 O   0  0  0  0  0
    4.3565   -0.9150    3.3445 H   0  0  0  0  0
    5.7455    0.0776    2.8810 H   0  0  0  0  0
    4.7404   -0.7476    1.6270 H   0  0  0  0  0
    2.3030    2.8514    2.1925 H   0  0  0  0  0
    6.1243    3.0319   -0.8284 H   0  0  0  0  0
    5.9939    1.1535    0.7683 H   0  0  0  0  0
    2.6468    5.4838   -0.3222 H   0  0  0  0  0
    0.8044    2.6408    0.0132 H   0  0  0  0  0
   -1.6330    2.5372    0.0881 H   0  0  0  0  0
   -1.7836    6.7783    0.8649 H   0  0  0  0  0
    0.6541    6.8672    0.8172 H   0  0  0  0  0
   -3.6331    3.7180    1.2863 H   0  0  0  0  0
   -3.8736    6.1579    1.9125 H   0  0  0  0  0
   -5.2883    5.3876    1.2001 H   0  0  0  0  0
   -5.0499    7.4877    0.2618 H   0  0  0  0  0
   -5.8457    5.8618   -1.2005 H   0  0  0  0  0
   -4.7810    6.9582   -2.0915 H   0  0  0  0  0
   -4.3436    4.5485   -2.6318 H   0  0  0  0  0
   -2.9090    5.3196   -1.9568 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 31  1  0  0  0
 15 32  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701938

>  <PubChem CID>
68325494

>  <Formula>
C16H19N3O2

>  <Molecular Weight>
285.347000

>  <IUPAC Name>
4-methoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridin-2-amine

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC(=NC=C1)NC2=CC=C(C=C2)C3CNCCO3

>  <Isomeric SMILES>
COC1=CC(=NC=C1)NC2=CC=C(C=C2)[C@H]3CNCCO3

>  <InChI Std. ID>
InChI=1S/C16H19N3O2/c1-20-14-6-7-18-16(10-14)19-13-4-2-12(3-5-13)15-11-17-8-9-21-15/h2-7,10,15,17H,8-9,11H2,1H3,(H,18,19)/t15-/m1/s1

>  <InChI Key>
FPJKBPSCJPCMAB-OAHLLOKOSA-N

