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

C17H15NO2 — CID 118717087

IUPAC1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one
SMILESCc1cc(Cc2cccc3ccccc23)n(O)c(=O)c1
InChIInChI=1S/C17H15NO2/c1-12-9-15(18(20)17(19)10-12)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-10,20H,11H2,1H3
InChIKeyIYUYEXPSFNLKSG-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.14
Rot. Bonds2

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

1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one (PubChem CID 118717087) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one
PubChem CID118717087
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one
SMILESCc1cc(Cc2cccc3ccccc23)n(O)c(=O)c1
InChIInChI=1S/C17H15NO2/c1-12-9-15(18(20)17(19)10-12)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-10,20H,11H2,1H3
InChIKeyIYUYEXPSFNLKSG-UHFFFAOYSA-N
XLogP3.14
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.14
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-(naphthalen-1-ylmethyl)pyridin-2-one?
The IUPAC name of 1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one (CID 118717087) is 1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one.
What is the SMILES notation for 1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one?
The canonical SMILES for 1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one is Cc1cc(Cc2cccc3ccccc23)n(O)c(=O)c1.
What is the InChIKey of 1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one?
The InChIKey is IYUYEXPSFNLKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-9-15(18(20)17(19)10-12)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-10,20H,11H2,1H3.
What are the key properties of 1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one?
1-hydroxy-4-methyl-6-(naphthalen-1-ylmethyl)pyridin-2-one has a molecular weight of 265.31 g/mol, XLogP of 3.14, 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-(naphthalen-1-ylmethyl)pyridin-2-one is sourced from PubChem (CID 118717087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).