4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one

C20H18N2O3 — CID 135401361

IUPAC4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one
SMILESC/C(=N/O)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H18N2O3/c1-13-18(15-9-5-3-6-10-15)22(16-11-7-4-8-12-16)20(24)17(19(13)23)14(2)21-25/h3-12,23,25H,1-2H3/b21-14-
InChIKeyIBELVYVTRSBECF-STZFKDTASA-N
MW334.38 g/mol
LogP3.72
Rot. Bonds3

About 4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one

4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one (PubChem CID 135401361) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one
PubChem CID135401361
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one
SMILESC/C(=N/O)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H18N2O3/c1-13-18(15-9-5-3-6-10-15)22(16-11-7-4-8-12-16)20(24)17(19(13)23)14(2)21-25/h3-12,23,25H,1-2H3/b21-14-
InChIKeyIBELVYVTRSBECF-STZFKDTASA-N
XLogP3.72
TPSA74.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.72
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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Related Compounds

CID 135454245
CID 135454245
CID 54708956
CID 54708956
CID 135401326
CID 135401326
CID 135401327
CID 135401327
CID 135401339
CID 135401339
CID 135401362
CID 135401362
CID 135473442
CID 135473442
CID 135473445
CID 135473445
CID 54691801
CID 54691801
CID 135401416
CID 135401416
CID 54687627
CID 54687627
CID 135401380
CID 135401380

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one (CID 135401361) is 4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one is C/C(=N/O)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one?
The InChIKey is IBELVYVTRSBECF-STZFKDTASA-N. The full InChI is InChI=1S/C20H18N2O3/c1-13-18(15-9-5-3-6-10-15)22(16-11-7-4-8-12-16)20(24)17(19(13)23)14(2)21-25/h3-12,23,25H,1-2H3/b21-14-.
What are the key properties of 4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one?
4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one has a molecular weight of 334.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methyl-1,6-diphenylpyridin-2-one is sourced from PubChem (CID 135401361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).