N-octyl-4-oxo-1H-pyridine-3-carboxamide

C14H22N2O2 — CID 114039175

IUPACN-octyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCCCCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C14H22N2O2/c1-2-3-4-5-6-7-9-16-14(18)12-11-15-10-8-13(12)17/h8,10-11H,2-7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyBPMGLBWLYKWRJQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.47
Rot. Bonds8

About N-octyl-4-oxo-1H-pyridine-3-carboxamide

N-octyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 114039175) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-octyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-octyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID114039175
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-octyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCCCCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C14H22N2O2/c1-2-3-4-5-6-7-9-16-14(18)12-11-15-10-8-13(12)17/h8,10-11H,2-7,9H2,1H3,(H,15,17)(H,16,18)
InChIKeyBPMGLBWLYKWRJQ-UHFFFAOYSA-N
XLogP2.47
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337019
N-dodecyl-1H-pyrrole-3-carboxamide
CID 175440908
N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103384967
N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106039021
N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106308005
4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 114039090
4,6-bis(hexylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 156689040
N-[2-(4-methylpyrazol-1-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337525
1-N,3-N,6-N,8-N-tetra(tetradecyl)pyrene-1,3,6,8-tetracarboxamide
CID 102360189
3-ethoxy-4-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114226921
5,8-bis(hexylcarbamoyl)naphthalene-1,4-dicarboxylic acid
CID 69296098
N-hexyl-2-methylbenzamide
CID 3017102

Frequently Asked Questions

What is the IUPAC name of N-octyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-octyl-4-oxo-1H-pyridine-3-carboxamide (CID 114039175) is N-octyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-octyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-octyl-4-oxo-1H-pyridine-3-carboxamide is CCCCCCCCNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-octyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BPMGLBWLYKWRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-4-5-6-7-9-16-14(18)12-11-15-10-8-13(12)17/h8,10-11H,2-7,9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-octyl-4-oxo-1H-pyridine-3-carboxamide?
N-octyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 114039175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).