General Information of the Compound
Compound ID
CP0535321
Compound Name
N-(2-aminophenyl)pyridine-2-carboxamide
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Structure
Formula
C12H11N3O
Molecular Weight
213.24
Canonical SMILES
Nc1ccccc1NC(=O)c1ccccn1
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InChI
InChI=1S/C12H11N3O/c13-9-5-1-2-6-10(9)15-12(16)11-7-3-4-8-14-11/h1-8H,13H2,(H,15,16)
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InChIKey
XIQCXQUJFNTCCK-UHFFFAOYSA-N
Physicochemical Property
logP
1.9161
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
68.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 817096
ChEMBL ID
CHEMBL254361
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 2454.71 nM
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