General Information of the Compound
Compound ID
CP0529102
Compound Name
3-bromo-N-(6-methylpyridin-2-yl)benzamide
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Synonyms
(3-bromophenyl)-N-(6-methyl(2-pyridyl))carboxamide
188747-28-6
3-Bromo-N-(6-methyl-2-pyridinyl)benzamide #
3-Bromo-N-(6-methyl-pyridin-2-yl)-benzamide
3-bromo-N-(6-methylpyridin-2-yl)benzamide
3-bromo-N~1~-(6-methyl-2-pyridyl)benzamide
AC1LCNCE
AKOS000204447
BDBM50186324
BOCBDQIZNZCOPX-UHFFFAOYSA-N
Benzamide, 3-bromo-N-(6-methyl-2-pyridinyl)-
CHEMBL377195
CTK0A3803
DTXSID30345279
HMS1540H09
MCULE-1961959863
MolPort-002-316-872
Oprea1_606042
ST031112
STK182187
TimTec1_002275
Z57716131
ZINC138486
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Structure
Formula
C13H11BrN2O
Molecular Weight
291.148
Canonical SMILES
Cc1cccc(NC(=O)c2cccc(Br)c2)n1
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InChI
InChI=1S/C13H11BrN2O/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
BOCBDQIZNZCOPX-UHFFFAOYSA-N
Physicochemical Property
logP
3.40482
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: 603306
SID: 15743433
ChEMBL ID
CHEMBL377195
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 = 5480 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-bromo-N-(6-methylpyridin-2-yl)benzamide )
Drug Name 3-bromo-N-(6-methylpyridin-2-yl)benzamide
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor