(4-butylcyclohexyl) 2-oxopyridine-1-carboxylate

C16H23NO3 — CID 118915631

IUPAC(4-butylcyclohexyl) 2-oxopyridine-1-carboxylate
SMILESCCCCC1CCC(OC(=O)n2ccccc2=O)CC1
InChIInChI=1S/C16H23NO3/c1-2-3-6-13-8-10-14(11-9-13)20-16(19)17-12-5-4-7-15(17)18/h4-5,7,12-14H,2-3,6,8-11H2,1H3
InChIKeyPFJGEZZMHVCPJK-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.58
Rot. Bonds4

About (4-butylcyclohexyl) 2-oxopyridine-1-carboxylate

(4-butylcyclohexyl) 2-oxopyridine-1-carboxylate (PubChem CID 118915631) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (4-butylcyclohexyl) 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Name(4-butylcyclohexyl) 2-oxopyridine-1-carboxylate
PubChem CID118915631
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(4-butylcyclohexyl) 2-oxopyridine-1-carboxylate
SMILESCCCCC1CCC(OC(=O)n2ccccc2=O)CC1
InChIInChI=1S/C16H23NO3/c1-2-3-6-13-8-10-14(11-9-13)20-16(19)17-12-5-4-7-15(17)18/h4-5,7,12-14H,2-3,6,8-11H2,1H3
InChIKeyPFJGEZZMHVCPJK-UHFFFAOYSA-N
XLogP3.58
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-butylcyclohexyl) 2-oxopyridine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl) 2-oxopyridine-1-carboxylate?
The IUPAC name of (4-butylcyclohexyl) 2-oxopyridine-1-carboxylate (CID 118915631) is (4-butylcyclohexyl) 2-oxopyridine-1-carboxylate.
What is the SMILES notation for (4-butylcyclohexyl) 2-oxopyridine-1-carboxylate?
The canonical SMILES for (4-butylcyclohexyl) 2-oxopyridine-1-carboxylate is CCCCC1CCC(OC(=O)n2ccccc2=O)CC1.
What is the InChIKey of (4-butylcyclohexyl) 2-oxopyridine-1-carboxylate?
The InChIKey is PFJGEZZMHVCPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-3-6-13-8-10-14(11-9-13)20-16(19)17-12-5-4-7-15(17)18/h4-5,7,12-14H,2-3,6,8-11H2,1H3.
What are the key properties of (4-butylcyclohexyl) 2-oxopyridine-1-carboxylate?
(4-butylcyclohexyl) 2-oxopyridine-1-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl) 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 118915631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).