General Information of the Compound
Compound ID
CP0374367
Compound Name
4-(3,5-Difluorophenyl)-N-(6-methylpyrindin-2-yl)picolinamide
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Structure
Formula
C18H13F2N3O
Molecular Weight
325.318
Canonical SMILES
Cc1cccc(NC(=O)c2cc(ccn2)-c2cc(F)cc(F)c2)n1
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InChI
InChI=1S/C18H13F2N3O/c1-11-3-2-4-17(22-11)23-18(24)16-9-12(5-6-21-16)13-7-14(19)10-15(20)8-13/h2-10H,1H3,(H,22,23,24)
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InChIKey
CVBWBHLJBLFSFF-UHFFFAOYSA-N
Physicochemical Property
logP
3.98252
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 16730836
SID: 26689000
ChEMBL ID
CHEMBL397121
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A Homo sapiens (Human)  1
1
IC50 = 98.1 nM
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