General Information of the Compound
Compound ID
CP0400658
Compound Name
2-amino-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide
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Structure
Formula
C12H12N4O2
Molecular Weight
244.254
Canonical SMILES
NCC(=O)Nc1cc(c[nH]c1=O)-c1ccncc1
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InChI
InChI=1S/C12H12N4O2/c13-6-11(17)16-10-5-9(7-15-12(10)18)8-1-3-14-4-2-8/h1-5,7H,6,13H2,(H,15,18)(H,16,17)
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InChIKey
SQQOYUCRGKOEFN-UHFFFAOYSA-N
Physicochemical Property
logP
0.3341
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
100.87
Hydrogen Bond Donor Count
3
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).

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PubChem ID
CID: 70695051
SID: 163469484
ChEMBL ID
CHEMBL2069486
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: PT06102, Probable G-protein coupled receptor 142
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 33000 nM
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