General Information of the Compound
Compound ID
CP0496756
Compound Name
3-methoxy-N-(6-methylpyridin-2-yl)benzamide
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Synonyms
(3-methoxyphenyl)-N-(6-methyl(2-pyridyl))carboxamide
3-Methoxy-N-(6-methyl-2-pyridinyl)benzamide #
3-Methoxy-N-(6-methyl-pyridin-2-yl)-benzamide
3-methoxy-N-(6-methylpyridin-2-yl)benzamide
AC1LBN1X
AKOS003855494
BDBM50186321
CHEMBL211801
EU-0053201
HMS1550J19
MCULE-9890451107
MolPort-002-713-956
NCGC00173451-01
Oprea1_343584
Oprea1_873046
RGDXTZSZZQXINX-UHFFFAOYSA-N
ST090431
STK696160
TimTec1_005849
ZINC92708
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Structure
Formula
C14H14N2O2
Molecular Weight
242.278
Canonical SMILES
COc1cccc(c1)C(=O)Nc1cccc(C)n1
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InChI
InChI=1S/C14H14N2O2/c1-10-5-3-8-13(15-10)16-14(17)11-6-4-7-12(9-11)18-2/h3-9H,1-2H3,(H,15,16,17)
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InChIKey
RGDXTZSZZQXINX-UHFFFAOYSA-N
Physicochemical Property
logP
2.65092
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 585532
ChEMBL ID
CHEMBL211801
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 46000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-methoxy-N-(6-methylpyridin-2-yl)benzamide )
Drug Name 3-methoxy-N-(6-methylpyridin-2-yl)benzamide
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor