3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide

C14H22N2O2 — CID 134464566

IUPAC3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide
SMILESCc1c(C(=O)NCCCCC(C)C)[nH]ccc1=O
InChIInChI=1S/C14H22N2O2/c1-10(2)6-4-5-8-16-14(18)13-11(3)12(17)7-9-15-13/h7,9-10H,4-6,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyAVVBDRXZJMHUMS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.24
Rot. Bonds6

About 3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide

3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 134464566) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide
PubChem CID134464566
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide
SMILESCc1c(C(=O)NCCCCC(C)C)[nH]ccc1=O
InChIInChI=1S/C14H22N2O2/c1-10(2)6-4-5-8-16-14(18)13-11(3)12(17)7-9-15-13/h7,9-10H,4-6,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyAVVBDRXZJMHUMS-UHFFFAOYSA-N
XLogP2.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.24
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

2-methyl-N-(3-methylbutyl)-1H-pyrrole-3-carboxamide
CID 110695748
5-methyl-N-(5-methylhexyl)-1H-1,2,4-triazole-3-carboxamide
CID 115326905
4-[[4-(4-methylpentylcarbamoyl)benzoyl]amino]butylazanide;rubidium(1+)
CID 171640058
4-amino-N-(6-methylheptyl)benzamide
CID 22753103
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674
3-fluoro-2-(methylamino)-N-(7-methyloctyl)pyridine-4-carboxamide
CID 107818020
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
N-(4-bromopentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 106130813
2-amino-6-methyl-N-(7-methyloctyl)benzamide
CID 107814563
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
3-amino-N-(5-methylhexyl)thiophene-2-carboxamide
CID 115324411
4-cyano-N-(5-methylhexyl)benzamide
CID 79003058

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide (CID 134464566) is 3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide is Cc1c(C(=O)NCCCCC(C)C)[nH]ccc1=O.
What is the InChIKey of 3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is AVVBDRXZJMHUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)6-4-5-8-16-14(18)13-11(3)12(17)7-9-15-13/h7,9-10H,4-6,8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide?
3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methylhexyl)-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 134464566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).