General Information of the Compound
Compound ID
CP0481037
Compound Name
1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxopyridine-3-carboxamide
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Structure
Formula
C16H24N2O3
Molecular Weight
292.379
Canonical SMILES
CC1CCC(CC1)NC(=O)c1cccn(CCCO)c1=O
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InChI
InChI=1S/C16H24N2O3/c1-12-5-7-13(8-6-12)17-15(20)14-4-2-9-18(16(14)21)10-3-11-19/h2,4,9,12-13,19H,3,5-8,10-11H2,1H3,(H,17,20)
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InChIKey
DPQRHEXFFPEQGL-UHFFFAOYSA-N
Physicochemical Property
logP
1.5392
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
71.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 76328602
ChEMBL ID
CHEMBL3114177
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS