6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one

C14H21NO2 — CID 69178911

IUPAC6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one
SMILESCCCCCc1[nH]c(C)cc(=O)c1C(=O)CC
InChIInChI=1S/C14H21NO2/c1-4-6-7-8-11-14(12(16)5-2)13(17)9-10(3)15-11/h9H,4-8H2,1-3H3,(H,15,17)
InChIKeyDBYKHEXRWIPRQF-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.01
Rot. Bonds6

About 6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one

6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one (PubChem CID 69178911) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one.

Molecular Properties

Compound Name6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one
PubChem CID69178911
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one
SMILESCCCCCc1[nH]c(C)cc(=O)c1C(=O)CC
InChIInChI=1S/C14H21NO2/c1-4-6-7-8-11-14(12(16)5-2)13(17)9-10(3)15-11/h9H,4-8H2,1-3H3,(H,15,17)
InChIKeyDBYKHEXRWIPRQF-UHFFFAOYSA-N
XLogP3.01
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 70357963
ethyl 2-butoxy-6-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 118582299
6-methyl-2-oxo-4-propyl-1H-pyridine-3-carboxylic acid
CID 15641804
2-butan-2-yl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
CID 90041042
N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide
CID 70357969
1-(2,5-dimethyl-1H-pyrrol-3-yl)propan-1-one
CID 67574339
4-methyl-5-pentyl-1,3-dihydroimidazol-2-one
CID 13478903
ethyl 2-undecyl-1H-pyrrole-3-carboxylate
CID 11449260
4-hydroxy-5-undecyl-1,3-dihydroimidazol-2-one
CID 54149435
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 43469733
2-hexyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136951222
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]hexanamide
CID 38743387

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one?
The IUPAC name of 6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one (CID 69178911) is 6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one.
What is the SMILES notation for 6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one?
The canonical SMILES for 6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one is CCCCCc1[nH]c(C)cc(=O)c1C(=O)CC.
What is the InChIKey of 6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one?
The InChIKey is DBYKHEXRWIPRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-6-7-8-11-14(12(16)5-2)13(17)9-10(3)15-11/h9H,4-8H2,1-3H3,(H,15,17).
What are the key properties of 6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one?
6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one has a molecular weight of 235.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pentyl-3-propanoyl-1H-pyridin-4-one is sourced from PubChem (CID 69178911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).