General Information of the Compound
Compound ID
CP0434337
Compound Name
3-chloro-N-(6-methylpyridin-2-yl)benzamide
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Synonyms
3-chloro-N-(6-methylpyridin-2-yl)benzamide
AC1LHBCW
AKOS003227907
BDBM50186323
CHEMBL377829
MCULE-3037986633
Oprea1_422679
ST51016900
STK028098
ZINC361715
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Structure
Formula
C13H11ClN2O
Molecular Weight
246.697
Canonical SMILES
Cc1cccc(NC(=O)c2cccc(Cl)c2)n1
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InChI
InChI=1S/C13H11ClN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17)
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InChIKey
HNLLGNJHYQMYEI-UHFFFAOYSA-N
Physicochemical Property
logP
3.29572
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: 835261
ChEMBL ID
CHEMBL377829
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000050 HEK293-A
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1870 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 1730 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-chloro-N-(6-methylpyridin-2-yl)benzamide )
Drug Name 3-chloro-N-(6-methylpyridin-2-yl)benzamide
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
 Target Info 
Inhibitor