5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one

C19H17NO4 — CID 14306388

IUPAC5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one
SMILESO=c1cc(CO)n(O)cc1OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-13-16-11-17(22)18(12-20(16)23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,19,21,23H,13H2
InChIKeyMAJNKCFGFYTFIP-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.75
Rot. Bonds5

About 5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one

5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one (PubChem CID 14306388) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one.

Molecular Properties

Compound Name5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one
PubChem CID14306388
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one
SMILESO=c1cc(CO)n(O)cc1OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H17NO4/c21-13-16-11-17(22)18(12-20(16)23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,19,21,23H,13H2
InChIKeyMAJNKCFGFYTFIP-UHFFFAOYSA-N
XLogP2.75
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The IUPAC name of 5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one (CID 14306388) is 5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one.
What is the SMILES notation for 5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The canonical SMILES for 5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one is O=c1cc(CO)n(O)cc1OC(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one?
The InChIKey is MAJNKCFGFYTFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-13-16-11-17(22)18(12-20(16)23)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,19,21,23H,13H2.
What are the key properties of 5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one?
5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one has a molecular weight of 323.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydryloxy-1-hydroxy-2-(hydroxymethyl)pyridin-4-one is sourced from PubChem (CID 14306388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).