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

C21H20N2O3 — CID 135401327

IUPAC5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one
SMILESCCc1c(O)c(/C(C)=N\O)c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H20N2O3/c1-3-17-19(15-10-6-4-7-11-15)23(16-12-8-5-9-13-16)21(25)18(20(17)24)14(2)22-26/h4-13,24,26H,3H2,1-2H3/b22-14-
InChIKeyFCAXIMLOEHPSKC-HMAPJEAMSA-N
MW348.40 g/mol
LogP3.97
Rot. Bonds4

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

5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one (PubChem CID 135401327) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one
PubChem CID135401327
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one
SMILESCCc1c(O)c(/C(C)=N\O)c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H20N2O3/c1-3-17-19(15-10-6-4-7-11-15)23(16-12-8-5-9-13-16)21(25)18(20(17)24)14(2)22-26/h4-13,24,26H,3H2,1-2H3/b22-14-
InChIKeyFCAXIMLOEHPSKC-HMAPJEAMSA-N
XLogP3.97
TPSA74.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.97
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

4-Hydroxy-3-(1-hydroxyiminoethyl)-1,6-diphenyl-1,2-dihydropyridin-2-one
CID 135454245
3-Ethyl-6-hydroxy-1,2-diphenylpyridin-4-one
CID 54708956
6-tert-butyl-3-(N-ethoxyethanimidoyl)-4-hydroxy-1-phenyl-2(1H)-pyridinone
CID 135401326
3-(N-ethoxyethanimidoyl)-4-hydroxy-6-isopropyl-1-phenyl-2(1H)-pyridinone
CID 135401339
4-hydroxy-3-(N-hydroxyethanimidoyl)-5-methyl-1,6-diphenyl-2(1H)-pyridinone
CID 135401361
3-(N-ethoxyethanimidoyl)-4-hydroxy-1,6-diphenyl-2(1H)-pyridinone
CID 135401362
3-[N-(allyloxy)ethanimidoyl]-4-hydroxy-5-methyl-1,6-diphenyl-2(1H)-pyridinone
CID 135473442
3-[N-(allyloxy)ethanimidoyl]-5-ethyl-4-hydroxy-1,6-diphenyl-2(1H)-pyridinone
CID 135473445
5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenyl-2(1H)-pyridinone
CID 54691801
3-[N-(benzyloxy)ethanimidoyl]-4-hydroxy-6-isopropyl-1-phenyl-2(1H)-pyridinone
CID 135401416
3-acetyl-4-hydroxy-5-methyl-1,6-diphenyl-2(1H)-pyridinone
CID 54687627
4-hydroxy-3-(N-hydroxypropanimidoyl)-1-phenyl-5,6,7,8-tetrahydro-2(1H)-quinolinone
CID 135401380

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one?
The IUPAC name of 5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one (CID 135401327) is 5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one?
The canonical SMILES for 5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one is CCc1c(O)c(/C(C)=N\O)c(=O)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one?
The InChIKey is FCAXIMLOEHPSKC-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-17-19(15-10-6-4-7-11-15)23(16-12-8-5-9-13-16)21(25)18(20(17)24)14(2)22-26/h4-13,24,26H,3H2,1-2H3/b22-14-.
What are the key properties of 5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one?
5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one has a molecular weight of 348.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,6-diphenylpyridin-2-one is sourced from PubChem (CID 135401327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).