
 CHEMBL3942310

 48 50  0  0  0  0  0  0  0  0999 V2000
    2.2099   -0.7015   -0.6290 C   0  0  0  0  0
    2.9680    0.2325   -1.5611 C   0  0  0  0  0
    3.1867    1.5983   -0.9621 C   0  0  0  0  0
    2.1142    2.4536   -0.7337 C   0  0  0  0  0
    2.3565    3.7151   -0.1813 C   0  0  0  0  0
    3.6558    4.0856    0.1489 C   0  0  0  0  0
    4.6645    3.1782   -0.1225 C   0  0  0  0  0
    4.4618    1.9478   -0.6718 N   0  0  0  0  0
    6.0824    3.5521    0.1733 C   0  0  0  0  0
    6.3900    4.6455    0.6335 O   0  0  0  0  0
    7.0148    2.5965   -0.1192 N   0  0  0  0  0
    1.1965    4.6194    0.0528 C   0  0  0  0  0
    0.1121    4.1069    0.2995 O   0  0  0  0  0
    1.4666    5.9693   -0.0832 N   0  0  0  0  0
    0.5618    7.0394    0.0753 C   0  0  0  0  0
   -0.7539    6.8967    0.5055 C   0  0  0  0  0
   -1.5828    8.0168    0.5966 C   0  0  0  0  0
   -1.1334    9.3031    0.2766 C   0  0  0  0  0
    0.1991    9.4392   -0.1300 C   0  0  0  0  0
    1.0357    8.3213   -0.2279 C   0  0  0  0  0
   -2.1067   10.4640    0.3412 C   0  0  0  0  0
   -1.5291   11.8489    0.7529 C   0  0  0  0  0
   -0.8309   12.5798   -0.3246 N   0  0  0  0  0
   -1.6958   12.6158   -1.5139 C   0  0  0  0  0
   -2.1546   11.2133   -1.9308 C   0  0  0  0  0
   -2.8708   10.5580   -0.8783 O   0  0  0  0  0
   -2.8454    7.8378    1.0150 F   0  0  0  0  0
    2.1253   -1.6962   -1.0784 H   0  0  0  0  0
    1.1962   -0.3361   -0.4334 H   0  0  0  0  0
    2.7225   -0.8035    0.3334 H   0  0  0  0  0
    2.4288    0.3371   -2.5099 H   0  0  0  0  0
    3.9398   -0.2167   -1.7998 H   0  0  0  0  0
    1.1000    2.1501   -0.9824 H   0  0  0  0  0
    3.8914    5.0327    0.6211 H   0  0  0  0  0
    6.7165    1.7100   -0.5125 H   0  0  0  0  0
    7.9944    2.7817    0.0428 H   0  0  0  0  0
    2.3860    6.2309   -0.4135 H   0  0  0  0  0
   -1.1782    5.9362    0.7745 H   0  0  0  0  0
    0.6036   10.4135   -0.3983 H   0  0  0  0  0
    2.0587    8.4741   -0.5624 H   0  0  0  0  0
   -2.8388   10.2182    1.1218 H   0  0  0  0  0
   -0.8547   11.7405    1.6099 H   0  0  0  0  0
   -2.3658   12.4797    1.0831 H   0  0  0  0  0
   -0.6462   13.5338   -0.0143 H   0  0  0  0  0
   -2.5720   13.2397   -1.2997 H   0  0  0  0  0
   -1.1483   13.0831   -2.3388 H   0  0  0  0  0
   -2.8340   11.2921   -2.7855 H   0  0  0  0  0
   -1.3099   10.5939   -2.2512 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 12  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 27  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 40  1  0  0  0
 21 26  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3942310

>  <PubChem CID>
134146108

>  <Formula>
C19H21FN4O3

>  <Molecular Weight>
372.400000

>  <IUPAC Name>
6-ethyl-4-N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]pyridine-2,4-dicarboxamide

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1=CC(=CC(=N1)C(=O)N)C(=O)NC2=CC(=C(C=C2)C3CNCCO3)F

>  <Isomeric SMILES>
CCC1=CC(=CC(=N1)C(=O)N)C(=O)NC2=CC(=C(C=C2)[C@@H]3CNCCO3)F

>  <InChI Std. ID>
InChI=1S/C19H21FN4O3/c1-2-12-7-11(8-16(23-12)18(21)25)19(26)24-13-3-4-14(15(20)9-13)17-10-22-5-6-27-17/h3-4,7-9,17,22H,2,5-6,10H2,1H3,(H2,21,25)(H,24,26)/t17-/m0/s1

>  <InChI Key>
BHJZDDKQAABURI-KRWDZBQOSA-N

