1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide

C17H28N2O3 — CID 143049825

IUPAC1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1c(O)c(=O)cc(C)n1C(C)CC
InChIInChI=1S/C17H28N2O3/c1-5-7-8-9-10-18-17(22)15-16(21)14(20)11-13(4)19(15)12(3)6-2/h11-12,21H,5-10H2,1-4H3,(H,18,22)
InChIKeyGXWUOGPGHVFZMH-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.14
Rot. Bonds8

About 1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide

1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide (PubChem CID 143049825) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide
PubChem CID143049825
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide
SMILESCCCCCCNC(=O)c1c(O)c(=O)cc(C)n1C(C)CC
InChIInChI=1S/C17H28N2O3/c1-5-7-8-9-10-18-17(22)15-16(21)14(20)11-13(4)19(15)12(3)6-2/h11-12,21H,5-10H2,1-4H3,(H,18,22)
InChIKeyGXWUOGPGHVFZMH-UHFFFAOYSA-N
XLogP3.14
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide 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

2-(Heptanamido)methyl 3-hydroxy-1,6-dimethylpyridin-4(1h)-one
CID 141519871
N-[(3-hydroxy-1,6-dimethyl-4-oxo-1,4-dihydropyridin-2-yl)methyl]propanamide
CID 10263040
3-Hydroxy-N,1,6-trimethyl-4-oxo-1,4-dihydropyridine-2-carboxamide
CID 54690006
1-(N-acetyl-6-aminohexyl)-3-hydroxy-2-methylpyridin-4-one
CID 117072346
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]pentanamide
CID 141519857
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]hexanamide
CID 141519874
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]butanamide
CID 141519884
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]octanamide
CID 141519889
N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]heptanamide
CID 166628651
N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
CID 166630656
N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
CID 166633960
N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
CID 166634036

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide?
The IUPAC name of 1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide (CID 143049825) is 1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide is CCCCCCNC(=O)c1c(O)c(=O)cc(C)n1C(C)CC.
What is the InChIKey of 1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide?
The InChIKey is GXWUOGPGHVFZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-5-7-8-9-10-18-17(22)15-16(21)14(20)11-13(4)19(15)12(3)6-2/h11-12,21H,5-10H2,1-4H3,(H,18,22).
What are the key properties of 1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide?
1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-hexyl-3-hydroxy-6-methyl-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 143049825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).