General Information of the Compound
Compound ID
CP0372207
Compound Name
N-(2-methyl-2-phenylpropyl)pyrazine-2-carboxamide
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Synonyms
2-Pyrazinecarboxamide, N-(2-methyl-2-phenylpropyl)-
923600-01-5
AKOS027754505
BDBM50197260
CHEMBL246026
CTK3F8796
DTXSID50653166
N-(2-methyl-2-phenylpropyl)pyrazine-2-carboxamide
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Structure
Formula
C15H17N3O
Molecular Weight
255.321
Canonical SMILES
CC(C)(CNC(=O)c1cnccn1)c1ccccc1
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InChI
InChI=1S/C15H17N3O/c1-15(2,12-6-4-3-5-7-12)11-18-14(19)13-10-16-8-9-17-13/h3-10H,11H2,1-2H3,(H,18,19)
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InChIKey
HMOMSNPWNJNCOE-UHFFFAOYSA-N
Physicochemical Property
logP
2.1842
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
54.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 36039661
ChEMBL ID
CHEMBL246026
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: PT02444, Metabotropic glutamate receptor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 6550 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(2-methyl-2-phenylpropyl)pyrazine-2-carboxamide )
Drug Name N-(2-methyl-2-phenylpropyl)pyrazine-2-carboxamide
Target(s)
Metabotropic glutamate receptor 1 (mGluR1)
 Target Info 
Inhibitor