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

C15H24N2O3 — CID 166634036

IUPACN-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1c(O)c(=O)cc(C)n1CC
InChIInChI=1S/C15H24N2O3/c1-4-6-7-8-14(19)16-10-12-15(20)13(18)9-11(3)17(12)5-2/h9,20H,4-8,10H2,1-3H3,(H,16,19)
InChIKeyFDZWXVSCWMUWKJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.08
Rot. Bonds7

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

N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide (PubChem CID 166634036) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
PubChem CID166634036
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1c(O)c(=O)cc(C)n1CC
InChIInChI=1S/C15H24N2O3/c1-4-6-7-8-14(19)16-10-12-15(20)13(18)9-11(3)17(12)5-2/h9,20H,4-8,10H2,1-3H3,(H,16,19)
InChIKeyFDZWXVSCWMUWKJ-UHFFFAOYSA-N
XLogP2.08
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
The IUPAC name of N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide (CID 166634036) is N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide.
What is the SMILES notation for N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
The canonical SMILES for N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide is CCCCCC(=O)NCc1c(O)c(=O)cc(C)n1CC.
What is the InChIKey of N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
The InChIKey is FDZWXVSCWMUWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-6-7-8-14(19)16-10-12-15(20)13(18)9-11(3)17(12)5-2/h9,20H,4-8,10H2,1-3H3,(H,16,19).
What are the key properties of N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide has a molecular weight of 280.37 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]hexanamide is sourced from PubChem (CID 166634036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).