3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one

C20H28N2O4 — CID 19821577

IUPAC3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCCCCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C20H28N2O4/c1-15-19(25)17(23)9-13-21(15)11-7-5-3-4-6-8-12-22-14-10-18(24)20(26)16(22)2/h9-10,13-14,25-26H,3-8,11-12H2,1-2H3
InChIKeyFUTWXOBEAYKVDA-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.08
Rot. Bonds9

About 3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one

3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one (PubChem CID 19821577) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
PubChem CID19821577
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one
SMILESCc1c(O)c(=O)ccn1CCCCCCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C20H28N2O4/c1-15-19(25)17(23)9-13-21(15)11-7-5-3-4-6-8-12-22-14-10-18(24)20(26)16(22)2/h9-10,13-14,25-26H,3-8,11-12H2,1-2H3
InChIKeyFUTWXOBEAYKVDA-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 3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one?
The IUPAC name of 3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one (CID 19821577) is 3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one?
The canonical SMILES for 3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one is Cc1c(O)c(=O)ccn1CCCCCCCCn1ccc(=O)c(O)c1C.
What is the InChIKey of 3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one?
The InChIKey is FUTWXOBEAYKVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15-19(25)17(23)9-13-21(15)11-7-5-3-4-6-8-12-22-14-10-18(24)20(26)16(22)2/h9-10,13-14,25-26H,3-8,11-12H2,1-2H3.
What are the key properties of 3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one?
3-hydroxy-1-[8-(3-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 3-hydroxy-1-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octyl]-2-methylpyridin-4-one is sourced from PubChem (CID 19821577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).