General Information of the Compound
Compound ID
CP0379041
Compound Name
N-(3-benzamidophenyl)pyridine-2-carboxamide
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Structure
Formula
C19H15N3O2
Molecular Weight
317.348
Canonical SMILES
O=C(Nc1cccc(NC(=O)c2ccccn2)c1)c1ccccc1
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InChI
InChI=1S/C19H15N3O2/c23-18(14-7-2-1-3-8-14)21-15-9-6-10-16(13-15)22-19(24)17-11-4-5-12-20-17/h1-13H,(H,21,23)(H,22,24)
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InChIKey
LDDNJFAJKYZQHK-UHFFFAOYSA-N
Physicochemical Property
logP
3.5862
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
71.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 49867949
ChEMBL ID
CHEMBL3182370
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: PT06019, Potassium channel subfamily K member 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 86 nM
   TI
   LI
   LO
   TS
Protein ID: PT05440, Potassium channel subfamily K member 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2500 nM
   TI
   LI
   LO
   TS