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

C17H25NO3 — CID 90424859

IUPAC5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1cc(CCCCCC2CCCCC2)ccc1=O
InChIInChI=1S/C17H25NO3/c19-16-12-11-15(13-18(16)17(20)21)10-6-2-5-9-14-7-3-1-4-8-14/h11-14H,1-10H2,(H,20,21)
InChIKeyMDDQXOVFGIHOTM-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.06
Rot. Bonds6

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

5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid (PubChem CID 90424859) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid
PubChem CID90424859
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid
SMILESO=C(O)n1cc(CCCCCC2CCCCC2)ccc1=O
InChIInChI=1S/C17H25NO3/c19-16-12-11-15(13-18(16)17(20)21)10-6-2-5-9-14-7-3-1-4-8-14/h11-14H,1-10H2,(H,20,21)
InChIKeyMDDQXOVFGIHOTM-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 5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid?
The IUPAC name of 5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid (CID 90424859) is 5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid.
What is the SMILES notation for 5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid?
The canonical SMILES for 5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid is O=C(O)n1cc(CCCCCC2CCCCC2)ccc1=O.
What is the InChIKey of 5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid?
The InChIKey is MDDQXOVFGIHOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c19-16-12-11-15(13-18(16)17(20)21)10-6-2-5-9-14-7-3-1-4-8-14/h11-14H,1-10H2,(H,20,21).
What are the key properties of 5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid?
5-(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 5-(5-cyclohexylpentyl)-2-oxopyridine-1-carboxylic acid is sourced from PubChem (CID 90424859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).