
 SCHEMBL6919602

 43 45  0  0  0  0  0  0  0  0999 V2000
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    5.7820   -1.5427    2.0205 C   0  0  0  0  0
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    4.3333   -2.0970    0.2333 C   0  0  0  0  0
    4.1416   -2.9264   -1.0405 C   0  0  0  0  0
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    2.4136   -5.3021   -2.7311 C   0  0  0  0  0
    2.1687   -5.9346   -3.9580 C   0  0  0  0  0
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    2.2797   -3.1595   -3.8155 C   0  0  0  0  0
    1.6727   -5.8800   -6.3135 N   0  0  0  0  0
    1.3710   -5.3351   -7.5535 C   0  0  0  0  0
    1.3277   -4.1448   -7.8305 O   0  0  0  0  0
    1.0714   -6.3596   -8.6049 C   0  0  0  0  0
    0.7408   -5.9697   -9.9022 C   0  0  0  0  0
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    0.5326   -8.2769  -10.4715 C   0  0  0  0  0
    0.8660   -8.5948   -9.1622 C   0  0  0  0  0
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    4.5879   -2.3848   -1.8848 H   0  0  0  0  0
    2.0995   -2.2638   -1.3311 H   0  0  0  0  0
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    0.2086   -6.6687  -11.8663 H   0  0  0  0  0
    0.9203   -9.6335   -8.8494 H   0  0  0  0  0
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  1 25  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL6919602

>  <PubChem CID>
67241233

>  <Formula>
C18H19F2N3O

>  <Molecular Weight>
331.367000

>  <IUPAC Name>
3,5-difluoro-N-[4-(2-pyrrolidin-3-ylethyl)phenyl]pyridine-2-carboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CNCC1CCC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=N3)F)F

>  <Isomeric SMILES>
C1CNCC1CCC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=N3)F)F

>  <InChI Std. ID>
InChI=1S/C18H19F2N3O/c19-14-9-16(20)17(22-11-14)18(24)23-15-5-3-12(4-6-15)1-2-13-7-8-21-10-13/h3-6,9,11,13,21H,1-2,7-8,10H2,(H,23,24)

>  <InChI Key>
APWHZOSSXYMDSS-UHFFFAOYSA-N

