
 SCHEMBL14151343

 45 47  0  0  0  0  0  0  0  0999 V2000
    3.4860    2.4938    3.4487 C   0  0  0  0  0
    4.0175    2.7267    2.0455 C   0  0  0  0  0
    4.9428    1.6782    1.7500 O   0  0  0  0  0
    5.4580    1.7598    0.4720 C   0  0  0  0  0
    5.3548    2.9094   -0.2232 N   0  0  0  0  0
    5.9004    2.9232   -1.4559 C   0  0  0  0  0
    6.5304    1.8315   -2.0238 C   0  0  0  0  0
    6.6241    0.6447   -1.2869 C   0  0  0  0  0
    6.0852    0.6184   -0.0001 C   0  0  0  0  0
    7.3016   -0.5233   -1.9374 C   0  0  0  0  0
    7.7817   -0.3512   -3.0549 O   0  0  0  0  0
    7.3367   -1.7111   -1.2269 N   0  0  0  0  0
    7.9335   -2.9290   -1.6222 C   0  0  0  0  0
    8.5557   -3.1388   -2.8509 C   0  0  0  0  0
    9.1352   -4.3761   -3.1374 C   0  0  0  0  0
    9.1271   -5.4337   -2.2219 C   0  0  0  0  0
    8.4867   -5.2196   -0.9953 C   0  0  0  0  0
    7.8962   -3.9840   -0.7026 C   0  0  0  0  0
    9.7917   -6.7446   -2.5961 C   0  0  0  0  0
   10.5207   -7.5058   -1.4519 C   0  0  0  0  0
    9.6397   -8.3018   -0.5720 N   0  0  0  0  0
    8.7789   -9.1514   -1.4094 C   0  0  0  0  0
    8.0049   -8.3302   -2.4476 C   0  0  0  0  0
    8.8838   -7.6042   -3.3127 O   0  0  0  0  0
    9.7375   -4.5313   -4.3272 F   0  0  0  0  0
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    4.2971    2.5651    4.1808 H   0  0  0  0  0
    3.0611    1.4890    3.5414 H   0  0  0  0  0
    4.5096    3.7059    2.0085 H   0  0  0  0  0
    3.1814    2.7003    1.3356 H   0  0  0  0  0
    5.8146    3.8630   -1.9936 H   0  0  0  0  0
    6.9433    1.9087   -3.0268 H   0  0  0  0  0
    6.1225   -0.2414    0.6515 H   0  0  0  0  0
    6.9077   -1.7365   -0.3144 H   0  0  0  0  0
    8.6145   -2.3724   -3.6142 H   0  0  0  0  0
    8.4347   -6.0087   -0.2490 H   0  0  0  0  0
    7.4132   -3.8629    0.2675 H   0  0  0  0  0
   10.5815   -6.4998   -3.3179 H   0  0  0  0  0
   11.1029   -6.8074   -0.8400 H   0  0  0  0  0
   11.2366   -8.2014   -1.9095 H   0  0  0  0  0
   10.2152   -8.8935    0.0274 H   0  0  0  0  0
    9.4003   -9.8978   -1.9192 H   0  0  0  0  0
    8.0742   -9.6884   -0.7665 H   0  0  0  0  0
    7.4159   -9.0048   -3.0774 H   0  0  0  0  0
    7.2998   -7.6416   -1.9699 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  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
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  3  4  1  0  0  0
  4  5  2  0  0  0
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  7  8  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL14151343

>  <PubChem CID>
71086823

>  <Formula>
C18H20FN3O3

>  <Molecular Weight>
345.374000

>  <IUPAC Name>
2-ethoxy-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC1=NC=CC(=C1)C(=O)NC2=CC(=C(C=C2)C3CNCCO3)F

>  <Isomeric SMILES>
CCOC1=NC=CC(=C1)C(=O)NC2=CC(=C(C=C2)[C@H]3CNCCO3)F

>  <InChI Std. ID>
InChI=1S/C18H20FN3O3/c1-2-24-17-9-12(5-6-21-17)18(23)22-13-3-4-14(15(19)10-13)16-11-20-7-8-25-16/h3-6,9-10,16,20H,2,7-8,11H2,1H3,(H,22,23)/t16-/m1/s1

>  <InChI Key>
AOTQIDPOBHBGSP-MRXNPFEDSA-N

