1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one

C22H17NO2 — CID 134140352

IUPAC1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one
SMILESCc1cc(-c2ccc(-c3cccc4ccccc34)cc2)n(O)c(=O)c1
InChIInChI=1S/C22H17NO2/c1-15-13-21(23(25)22(24)14-15)18-11-9-17(10-12-18)20-8-4-6-16-5-2-3-7-19(16)20/h2-14,25H,1H3
InChIKeyOWHRRQHNSUCSEA-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.88
Rot. Bonds2

About 1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one

1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one (PubChem CID 134140352) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one
PubChem CID134140352
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one
SMILESCc1cc(-c2ccc(-c3cccc4ccccc34)cc2)n(O)c(=O)c1
InChIInChI=1S/C22H17NO2/c1-15-13-21(23(25)22(24)14-15)18-11-9-17(10-12-18)20-8-4-6-16-5-2-3-7-19(16)20/h2-14,25H,1H3
InChIKeyOWHRRQHNSUCSEA-UHFFFAOYSA-N
XLogP4.88
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one?
The IUPAC name of 1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one (CID 134140352) is 1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one.
What is the SMILES notation for 1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one?
The canonical SMILES for 1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one is Cc1cc(-c2ccc(-c3cccc4ccccc34)cc2)n(O)c(=O)c1.
What is the InChIKey of 1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one?
The InChIKey is OWHRRQHNSUCSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-15-13-21(23(25)22(24)14-15)18-11-9-17(10-12-18)20-8-4-6-16-5-2-3-7-19(16)20/h2-14,25H,1H3.
What are the key properties of 1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one?
1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one has a molecular weight of 327.38 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methyl-6-(4-naphthalen-1-ylphenyl)pyridin-2-one is sourced from PubChem (CID 134140352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).