5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one

C20H28N2O4 — CID 102477006

IUPAC5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
SMILESCc1cc(=O)c(O)cn1CCCCCCCCn1cc(O)c(=O)cc1C
InChIInChI=1S/C20H28N2O4/c1-15-11-17(23)19(25)13-21(15)9-7-5-3-4-6-8-10-22-14-20(26)18(24)12-16(22)2/h11-14,25-26H,3-10H2,1-2H3
InChIKeyILUIGSNRJTUYMC-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.08
Rot. Bonds9

About 5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one

5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one (PubChem CID 102477006) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
PubChem CID102477006
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
SMILESCc1cc(=O)c(O)cn1CCCCCCCCn1cc(O)c(=O)cc1C
InChIInChI=1S/C20H28N2O4/c1-15-11-17(23)19(25)13-21(15)9-7-5-3-4-6-8-10-22-14-20(26)18(24)12-16(22)2/h11-14,25-26H,3-10H2,1-2H3
InChIKeyILUIGSNRJTUYMC-UHFFFAOYSA-N
XLogP3.08
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
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 5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one?
The IUPAC name of 5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one (CID 102477006) is 5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one.
What is the SMILES notation for 5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one?
The canonical SMILES for 5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one is Cc1cc(=O)c(O)cn1CCCCCCCCn1cc(O)c(=O)cc1C.
What is the InChIKey of 5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one?
The InChIKey is ILUIGSNRJTUYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15-11-17(23)19(25)13-21(15)9-7-5-3-4-6-8-10-22-14-20(26)18(24)12-16(22)2/h11-14,25-26H,3-10H2,1-2H3.
What are the key properties of 5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one?
5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one has a molecular weight of 360.45 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[8-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one is sourced from PubChem (CID 102477006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).