3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one

C15H26N2O4 — CID 82217718

IUPAC3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)CCO)n1CCCCCO
InChIInChI=1S/C15H26N2O4/c1-12-10-14(20)15(21)13(11-16(2)7-9-19)17(12)6-4-3-5-8-18/h10,18-19,21H,3-9,11H2,1-2H3
InChIKeyHFPCGFBPDNYJFS-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.45
Rot. Bonds9

About 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one

3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one (PubChem CID 82217718) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one
PubChem CID82217718
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one
SMILESCc1cc(=O)c(O)c(CN(C)CCO)n1CCCCCO
InChIInChI=1S/C15H26N2O4/c1-12-10-14(20)15(21)13(11-16(2)7-9-19)17(12)6-4-3-5-8-18/h10,18-19,21H,3-9,11H2,1-2H3
InChIKeyHFPCGFBPDNYJFS-UHFFFAOYSA-N
XLogP0.45
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one (CID 82217718) is 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one is Cc1cc(=O)c(O)c(CN(C)CCO)n1CCCCCO.
What is the InChIKey of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one?
The InChIKey is HFPCGFBPDNYJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-12-10-14(20)15(21)13(11-16(2)7-9-19)17(12)6-4-3-5-8-18/h10,18-19,21H,3-9,11H2,1-2H3.
What are the key properties of 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one?
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one has a molecular weight of 298.38 g/mol, XLogP of 0.45, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-1-(5-hydroxypentyl)-6-methylpyridin-4-one is sourced from PubChem (CID 82217718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).