General Information of the Compound
Compound ID
CP0381484
Compound Name
N-[3-chloro-4-(2-methylpropanoylamino)phenyl]pyridine-2-carboxamide
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Structure
Formula
C16H16ClN3O2
Molecular Weight
317.776
Canonical SMILES
CC(C)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl
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InChI
InChI=1S/C16H16ClN3O2/c1-10(2)15(21)20-13-7-6-11(9-12(13)17)19-16(22)14-5-3-4-8-18-14/h3-10H,1-2H3,(H,19,22)(H,20,21)
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InChIKey
RYHBADLCPQPWTE-UHFFFAOYSA-N
Physicochemical Property
logP
3.5818
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
71.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 51003326
SID: 117686568
ChEMBL ID
CHEMBL1672246
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: 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 = 4270 nM
   TI
   LI
   LO
   TS
Protein ID: PT02446, 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 = 4820 nM
   TI
   LI
   LO
   TS