General Information of the Compound
Compound ID
CP0528195
Compound Name
3-methyl-N-(6-methylpyridin-2-yl)benzamide
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Synonyms
3-methyl-N-(6-methylpyridin-2-yl)benzamide
346720-66-9
AC1LJ0IB
AKOS001316653
BDBM50186319
CHEMBL212724
MCULE-8428043810
MolPort-003-351-883
N-(6-methyl(2-pyridyl))(3-methylphenyl)carboxamide
Oprea1_123319
Oprea1_323038
SCHEMBL8557860
ST51016902
ZINC579315
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Structure
Formula
C14H14N2O
Molecular Weight
226.279
Canonical SMILES
Cc1cccc(c1)C(=O)Nc1cccc(C)n1
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InChI
InChI=1S/C14H14N2O/c1-10-5-3-7-12(9-10)14(17)16-13-8-4-6-11(2)15-13/h3-9H,1-2H3,(H,15,16,17)
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InChIKey
AKCGNQRHTCXVRF-UHFFFAOYSA-N
Physicochemical Property
logP
2.95074
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 966005
ChEMBL ID
CHEMBL212724
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: PT00854, Metabotropic glutamate receptor 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5900 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-methyl-N-(6-methylpyridin-2-yl)benzamide )
Drug Name 3-methyl-N-(6-methylpyridin-2-yl)benzamide
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
 Target Info 
Inhibitor