4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one

C19H16N2O3 — CID 135454245

IUPAC4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one
SMILESC/C(=N\O)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H16N2O3/c1-13(20-24)18-17(22)12-16(14-8-4-2-5-9-14)21(19(18)23)15-10-6-3-7-11-15/h2-12,22,24H,1H3/b20-13+
InChIKeyRJBXEJYPGVRXEF-DEDYPNTBSA-N
MW320.35 g/mol
LogP3.41
Rot. Bonds3

About 4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one

4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one (PubChem CID 135454245) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one
PubChem CID135454245
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one
SMILESC/C(=N\O)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H16N2O3/c1-13(20-24)18-17(22)12-16(14-8-4-2-5-9-14)21(19(18)23)15-10-6-3-7-11-15/h2-12,22,24H,1H3/b20-13+
InChIKeyRJBXEJYPGVRXEF-DEDYPNTBSA-N
XLogP3.41
TPSA74.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one (CID 135454245) is 4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one is C/C(=N\O)c1c(O)cc(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one?
The InChIKey is RJBXEJYPGVRXEF-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13(20-24)18-17(22)12-16(14-8-4-2-5-9-14)21(19(18)23)15-10-6-3-7-11-15/h2-12,22,24H,1H3/b20-13+.
What are the key properties of 4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one?
4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one has a molecular weight of 320.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one is sourced from PubChem (CID 135454245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).