N-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide

C14H22N2O3 — CID 117072346

IUPACN-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide
SMILESCC(=O)NCCCCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C14H22N2O3/c1-11-14(19)13(18)7-10-16(11)9-6-4-3-5-8-15-12(2)17/h7,10,19H,3-6,8-9H2,1-2H3,(H,15,17)
InChIKeyAUVGDBMRJYKPEA-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.56
Rot. Bonds7

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

N-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide (PubChem CID 117072346) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide.

Molecular Properties

Compound NameN-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide
PubChem CID117072346
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide
SMILESCC(=O)NCCCCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C14H22N2O3/c1-11-14(19)13(18)7-10-16(11)9-6-4-3-5-8-15-12(2)17/h7,10,19H,3-6,8-9H2,1-2H3,(H,15,17)
InChIKeyAUVGDBMRJYKPEA-UHFFFAOYSA-N
XLogP1.56
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.56
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-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide?
The IUPAC name of N-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide (CID 117072346) is N-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide.
What is the SMILES notation for N-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide?
The canonical SMILES for N-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide is CC(=O)NCCCCCCn1ccc(=O)c(O)c1C.
What is the InChIKey of N-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide?
The InChIKey is AUVGDBMRJYKPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11-14(19)13(18)7-10-16(11)9-6-4-3-5-8-15-12(2)17/h7,10,19H,3-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide?
N-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexyl]acetamide is sourced from PubChem (CID 117072346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).