
 SCHEMBL6927274

 36 38  0  0  0  0  0  0  0  0999 V2000
    4.1576    0.1554   -2.6249 C   0  0  0  0  0
    3.9427    0.1938   -3.9978 C   0  0  0  0  0
    3.2643    1.2815   -4.5434 C   0  0  0  0  0
    2.7987    2.2955   -3.7608 N   0  0  0  0  0
    3.0154    2.2553   -2.4358 C   0  0  0  0  0
    3.6977    1.2049   -1.8335 C   0  0  0  0  0
    2.5906    3.3019   -1.6172 N   0  0  0  0  0
    1.7997    4.3605   -2.0042 C   0  0  0  0  0
    1.2262    4.5204   -3.0743 O   0  0  0  0  0
    1.6509    5.3943   -0.9299 C   0  0  0  0  0
    2.4012    5.2017    0.1963 N   0  0  0  0  0
    2.3294    6.1683    1.1372 C   0  0  0  0  0
    1.5286    7.2929    1.0290 C   0  0  0  0  0
    0.7282    7.4235   -0.1055 C   0  0  0  0  0
    0.8053    6.4763   -1.1184 C   0  0  0  0  0
   -0.0904    8.5038   -0.3369 O   0  0  0  0  0
   -0.8383    8.9970    0.6921 C   0  0  0  0  0
   -1.4436    8.2597    1.6895 C   0  0  0  0  0
   -2.1808    8.8021    2.6823 N   0  0  0  0  0
   -2.3347   10.1365    2.6311 C   0  0  0  0  0
   -1.8283   10.9523    1.6931 N   0  0  0  0  0
   -1.0926   10.3506    0.7322 C   0  0  0  0  0
    3.0568    1.3738   -6.0480 C   0  0  0  0  0
    1.7497    1.4916   -6.4167 F   0  0  0  0  0
    3.7105    2.4286   -6.6170 F   0  0  0  0  0
    3.5177    0.2711   -6.7179 F   0  0  0  0  0
    4.6835   -0.6820   -2.1742 H   0  0  0  0  0
    4.3070   -0.6117   -4.6289 H   0  0  0  0  0
    3.8677    1.1838   -0.7619 H   0  0  0  0  0
    2.8998    3.3208   -0.6510 H   0  0  0  0  0
    2.9612    6.0178    2.0098 H   0  0  0  0  0
    1.5414    8.0432    1.8108 H   0  0  0  0  0
    0.2299    6.5803   -2.0342 H   0  0  0  0  0
   -1.3609    7.1774    1.7322 H   0  0  0  0  0
   -2.9235   10.5957    3.4174 H   0  0  0  0  0
   -0.6994   11.0164   -0.0305 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 22  2  0  0  0
 22 36  1  0  0  0
 23 26  1  0  0  0
 23 25  1  0  0  0
 23 24  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL6927274

>  <PubChem CID>
69939881

>  <Formula>
C16H10F3N5O2

>  <Molecular Weight>
361.284000

>  <IUPAC Name>
4-pyrimidin-5-yloxy-N-[6-(trifluoromethyl)pyridin-2-yl]pyridine-2-carboxamide

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1=CC(=NC(=C1)NC(=O)C2=NC=CC(=C2)OC3=CN=CN=C3)C(F)(F)F

>  <Isomeric SMILES>
C1=CC(=NC(=C1)NC(=O)C2=NC=CC(=C2)OC3=CN=CN=C3)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C16H10F3N5O2/c17-16(18,19)13-2-1-3-14(23-13)24-15(25)12-6-10(4-5-22-12)26-11-7-20-9-21-8-11/h1-9H,(H,23,24,25)

>  <InChI Key>
AREFTTIREGBURD-UHFFFAOYSA-N

