General Information of the Compound
Compound ID
CP0375755
Compound Name
N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
    Show/Hide
Structure
Formula
C13H10N2O3
Molecular Weight
242.234
Canonical SMILES
O=C(Nc1ccc2OCOc2c1)c1ccccn1
    Show/Hide
InChI
InChI=1S/C13H10N2O3/c16-13(10-3-1-2-6-14-10)15-9-4-5-11-12(7-9)18-8-17-11/h1-7H,8H2,(H,15,16)
    Show/Hide
InChIKey
QFORJOQLCRHFAV-UHFFFAOYSA-N
Physicochemical Property
logP
2.0626
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
60.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 738280
SID: 85186894
ChEMBL ID
CHEMBL562036
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 = 500 nM
   TI
   LI
   LO
   TS
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 > 10000 nM
   TI
   LI
   LO
   TS