N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C16H24N2O3 — CID 103696254

IUPACN-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCOC2CCCCC2)c[nH]1
InChIInChI=1S/C16H24N2O3/c1-12-10-15(19)14(11-18-12)16(20)17-8-5-9-21-13-6-3-2-4-7-13/h10-11,13H,2-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyLRNYOWZNPDGYEO-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.15
Rot. Bonds6

About N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103696254) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103696254
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCCOC2CCCCC2)c[nH]1
InChIInChI=1S/C16H24N2O3/c1-12-10-15(19)14(11-18-12)16(20)17-8-5-9-21-13-6-3-2-4-7-13/h10-11,13H,2-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyLRNYOWZNPDGYEO-UHFFFAOYSA-N
XLogP2.15
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.15
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)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103696254) is N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCCOC2CCCCC2)c[nH]1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LRNYOWZNPDGYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-10-15(19)14(11-18-12)16(20)17-8-5-9-21-13-6-3-2-4-7-13/h10-11,13H,2-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103696254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).