N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide

C15H22N2O3 — CID 24554376

IUPACN-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C15H22N2O3/c18-14-13(8-4-9-16-14)15(19)17-10-5-11-20-12-6-2-1-3-7-12/h4,8-9,12H,1-3,5-7,10-11H2,(H,16,18)(H,17,19)
InChIKeyCTHMWLZETDCJOC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.84
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide

N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 24554376) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID24554376
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1ccc[nH]c1=O
InChIInChI=1S/C15H22N2O3/c18-14-13(8-4-9-16-14)15(19)17-10-5-11-20-12-6-2-1-3-7-12/h4,8-9,12H,1-3,5-7,10-11H2,(H,16,18)(H,17,19)
InChIKeyCTHMWLZETDCJOC-UHFFFAOYSA-N
XLogP1.84
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
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 N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide (CID 24554376) is N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide is O=C(NCCCOC1CCCCC1)c1ccc[nH]c1=O.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CTHMWLZETDCJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14-13(8-4-9-16-14)15(19)17-10-5-11-20-12-6-2-1-3-7-12/h4,8-9,12H,1-3,5-7,10-11H2,(H,16,18)(H,17,19).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 24554376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).