General Information of the Compound
Compound ID
CP0535725
Compound Name
6-methyl-1-(3-methylbutyl)-4-(3-methylbutylamino)pyridin-2-one
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Structure
Formula
C16H28N2O
Molecular Weight
264.413
Canonical SMILES
CC(C)CCNc1cc(C)n(CCC(C)C)c(=O)c1
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InChI
InChI=1S/C16H28N2O/c1-12(2)6-8-17-15-10-14(5)18(16(19)11-15)9-7-13(3)4/h10-13,17H,6-9H2,1-5H3
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InChIKey
CRGJBALPHNUUGR-UHFFFAOYSA-N
Physicochemical Property
logP
3.66082
Rotatable Bonds
7
Heavy Atom Count
19
Polar Areas
34.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 127048645
ChEMBL ID
CHEMBL3814626
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: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 52000 nM
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