
 SCHEMBL14151033

 48 50  0  0  0  0  0  0  0  0999 V2000
    4.4663    0.8749    2.0628 C   0  0  0  0  0
    3.6864    0.4776    0.8177 C   0  0  0  0  0
    3.2915    1.6615   -0.0288 C   0  0  0  0  0
    2.3977    2.6136    0.4506 C   0  0  0  0  0
    2.0634    3.7005   -0.3624 C   0  0  0  0  0
    2.5910    3.7900   -1.6462 C   0  0  0  0  0
    3.4688    2.7980   -2.0448 C   0  0  0  0  0
    3.8390    1.7440   -1.2647 N   0  0  0  0  0
    4.0694    2.8639   -3.4145 C   0  0  0  0  0
    3.8503    3.7923   -4.1811 O   0  0  0  0  0
    4.8842    1.8180   -3.7487 N   0  0  0  0  0
    1.1245    4.7278    0.1680 C   0  0  0  0  0
    0.2756    4.3724    0.9753 O   0  0  0  0  0
    1.3543    6.0139   -0.2842 N   0  0  0  0  0
    0.6033    7.1711    0.0080 C   0  0  0  0  0
   -0.5924    7.1716    0.7200 C   0  0  0  0  0
   -1.2580    8.3752    0.9622 C   0  0  0  0  0
   -0.7573    9.6050    0.5180 C   0  0  0  0  0
    0.4367    9.5905   -0.2125 C   0  0  0  0  0
    1.1051    8.3882   -0.4675 C   0  0  0  0  0
   -1.5128   10.8807    0.8408 C   0  0  0  0  0
   -0.6408   12.1059    1.2425 C   0  0  0  0  0
   -0.0554   12.8521    0.1104 N   0  0  0  0  0
   -1.1235   13.1645   -0.8505 C   0  0  0  0  0
   -1.8736   11.9032   -1.2966 C   0  0  0  0  0
   -2.4620   11.2111   -0.1909 O   0  0  0  0  0
   -2.4007    8.3359    1.6642 F   0  0  0  0  0
    4.7756   -0.0184    2.6150 H   0  0  0  0  0
    3.8609    1.4902    2.7367 H   0  0  0  0  0
    5.3650    1.4444    1.8033 H   0  0  0  0  0
    2.7845   -0.0779    1.0999 H   0  0  0  0  0
    4.3018   -0.2047    0.2186 H   0  0  0  0  0
    1.9672    2.5205    1.4447 H   0  0  0  0  0
    2.3178    4.5814   -2.3353 H   0  0  0  0  0
    5.0397    1.0703   -3.0812 H   0  0  0  0  0
    5.3187    1.7929   -4.6596 H   0  0  0  0  0
    2.1915    6.1735   -0.8295 H   0  0  0  0  0
   -1.0421    6.2616    1.1009 H   0  0  0  0  0
    0.8665   10.5134   -0.5951 H   0  0  0  0  0
    2.0300    8.4263   -1.0384 H   0  0  0  0  0
   -2.1240   10.6686    1.7278 H   0  0  0  0  0
    0.1615   11.7955    1.9216 H   0  0  0  0  0
   -1.2764   12.8066    1.8000 H   0  0  0  0  0
    0.3508   13.7205    0.4580 H   0  0  0  0  0
   -1.8267   13.8677   -0.3880 H   0  0  0  0  0
   -0.6853   13.6589   -1.7235 H   0  0  0  0  0
   -2.6886   12.1873   -1.9707 H   0  0  0  0  0
   -1.2204   11.2246   -1.8551 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>
SCHEMBL14151033

>  <PubChem CID>
71087007

>  <Formula>
C19H21FN4O3

>  <Molecular Weight>
372.400000

>  <IUPAC Name>
6-ethyl-4-N-[3-fluoro-4-[(2S)-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-/m1/s1

>  <InChI Key>
BHJZDDKQAABURI-QGZVFWFLSA-N

