General Information of the Compound
Compound ID
CP0164536
Compound Name
N-(3-chlorophenyl)pyridine-2-carboxamide
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Synonyms
2-Pyridinecarboxamide, N-(3-chlorophenyl)-
2565AH
61350-00-3
AC1LHD0L
AKOS003020541
BCP19097
BDBM50293743
CHEMBL556667
CS-6072
CTK2E1861
DTXSID00356877
EX-A1099
GTPL6234
HMS3651P19
HY-100588
KB-276111
KS-00001CNQ
MolPort-002-826-420
N-(3-chloro-phenyl)-pyridine-2-carboxamide
N-(3-chlorophenyl)-2-pyridinecarboxamide
N-(3-chlorophenyl)picolinamide
N-(3-chlorophenyl)pyridine-2-carboxamide
SCHEMBL2530324
SW219537-1
VU 0364770
VU-0364770
VU0364770
ZINC362766
cid_836002
s2862
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Structure
Formula
C12H9ClN2O
Molecular Weight
232.67
Canonical SMILES
Clc1cccc(NC(=O)c2ccccn2)c1
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InChI
InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)
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InChIKey
SUYUTNCKIOLMAJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.9873
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 836002
SID: 81083915
ChEMBL ID
CHEMBL556667
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: PT02446, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 290 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 330 nM
Protein ID: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 1196 nM
Clinical Information about the Compound
Drug 1 ( VU0364770 )
Drug Name VU0364770
Target(s)
Metabotropic glutamate receptor 4 (mGluR4)
Modulator (allosteric modulator)