N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide

C17H28N2O3 — CID 166630656

IUPACN-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1c(O)c(=O)cc(C)n1CCCC
InChIInChI=1S/C17H28N2O3/c1-4-6-8-9-16(21)18-12-14-17(22)15(20)11-13(3)19(14)10-7-5-2/h11,22H,4-10,12H2,1-3H3,(H,18,21)
InChIKeyNKSXDPHZTVISJQ-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.86
Rot. Bonds9

About N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide

N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide (PubChem CID 166630656) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
PubChem CID166630656
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1c(O)c(=O)cc(C)n1CCCC
InChIInChI=1S/C17H28N2O3/c1-4-6-8-9-16(21)18-12-14-17(22)15(20)11-13(3)19(14)10-7-5-2/h11,22H,4-10,12H2,1-3H3,(H,18,21)
InChIKeyNKSXDPHZTVISJQ-UHFFFAOYSA-N
XLogP2.86
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 141519855
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]cyclohexanecarboxamide
CID 141519868
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]cyclopentanecarboxamide
CID 141519879
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]cyclobutanecarboxamide
CID 141519881
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]butanamide
CID 141519884
2-cyclohexyl-N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]acetamide
CID 141519885
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]octanamide
CID 141519889
N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]heptanamide
CID 152056061

Frequently Asked Questions

What is the IUPAC name of N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
The IUPAC name of N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide (CID 166630656) is N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide.
What is the SMILES notation for N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
The canonical SMILES for N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide is CCCCCC(=O)NCc1c(O)c(=O)cc(C)n1CCCC.
What is the InChIKey of N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
The InChIKey is NKSXDPHZTVISJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-4-6-8-9-16(21)18-12-14-17(22)15(20)11-13(3)19(14)10-7-5-2/h11,22H,4-10,12H2,1-3H3,(H,18,21).
What are the key properties of N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide has a molecular weight of 308.42 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide is sourced from PubChem (CID 166630656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).