General Information of the Compound
Compound ID
CP0285238
Compound Name
N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
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Structure
Formula
C14H14N2O3
Molecular Weight
258.277
Canonical SMILES
COc1ccc(NC(=O)c2ccccn2)cc1OC
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InChI
InChI=1S/C14H14N2O3/c1-18-12-7-6-10(9-13(12)19-2)16-14(17)11-5-3-4-8-15-11/h3-9H,1-2H3,(H,16,17)
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InChIKey
MUFYBHIXCJGGTP-UHFFFAOYSA-N
Physicochemical Property
logP
2.3511
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
60.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 2447227
SID: 85186893
ChEMBL ID
CHEMBL572346
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 4.6 nM
   TI
   LI
   LO
   TS
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 = 2400 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 > 5000 nM
   TI
   LI
   LO
   TS