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

C12H18N2O2 — CID 103337019

IUPACN-hexyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H18N2O2/c1-2-3-4-5-7-14-12(16)10-9-13-8-6-11(10)15/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyKQNQVNATUKLPQT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.68
Rot. Bonds6

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

N-hexyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337019) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-hexyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337019
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-hexyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H18N2O2/c1-2-3-4-5-7-14-12(16)10-9-13-8-6-11(10)15/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,16)
InChIKeyKQNQVNATUKLPQT-UHFFFAOYSA-N
XLogP1.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.68
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-octyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039175
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-hexyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-hexyl-4-oxo-1H-pyridine-3-carboxamide (CID 103337019) is N-hexyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-hexyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-hexyl-4-oxo-1H-pyridine-3-carboxamide is CCCCCCNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-hexyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KQNQVNATUKLPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-4-5-7-14-12(16)10-9-13-8-6-11(10)15/h6,8-9H,2-5,7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-hexyl-4-oxo-1H-pyridine-3-carboxamide?
N-hexyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).