General Information of the Compound
Compound ID
CP0375757
Compound Name
N-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
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Structure
Formula
C13H9F3N2O2
Molecular Weight
282.221
Canonical SMILES
FC(F)(F)Oc1cccc(NC(=O)c2ccccn2)c1
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InChI
InChI=1S/C13H9F3N2O2/c14-13(15,16)20-10-5-3-4-9(8-10)18-12(19)11-6-1-2-7-17-11/h1-8H,(H,18,19)
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InChIKey
HKZVOVXCSIZDAJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2325
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 38032499
SID: 81084157
ChEMBL ID
CHEMBL559271
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 5000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 5000 nM
   TI
   LI
   LO
   TS