3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid

C17H25NO3 — CID 90424860

IUPAC3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1cccc(CCCCCC2CCCCC2)c1=O
InChIInChI=1S/C17H25NO3/c19-16-15(12-7-13-18(16)17(20)21)11-6-2-5-10-14-8-3-1-4-9-14/h7,12-14H,1-6,8-11H2,(H,20,21)
InChIKeyFVNAJZOTQLHPGA-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.06
Rot. Bonds6

About 3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid

3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid (PubChem CID 90424860) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid
PubChem CID90424860
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1cccc(CCCCCC2CCCCC2)c1=O
InChIInChI=1S/C17H25NO3/c19-16-15(12-7-13-18(16)17(20)21)11-6-2-5-10-14-8-3-1-4-9-14/h7,12-14H,1-6,8-11H2,(H,20,21)
InChIKeyFVNAJZOTQLHPGA-UHFFFAOYSA-N
XLogP4.06
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid?
The IUPAC name of 3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid (CID 90424860) is 3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid.
What is the SMILES notation for 3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid?
The canonical SMILES for 3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid is O=C(O)n1cccc(CCCCCC2CCCCC2)c1=O.
What is the InChIKey of 3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid?
The InChIKey is FVNAJZOTQLHPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-16-15(12-7-13-18(16)17(20)21)11-6-2-5-10-14-8-3-1-4-9-14/h7,12-14H,1-6,8-11H2,(H,20,21).
What are the key properties of 3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid?
3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid is sourced from PubChem (CID 90424860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).