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

C24H24N2O3 — CID 135473445

IUPAC5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one
SMILESC=CCO/N=C(/C)c1c(O)c(CC)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C24H24N2O3/c1-4-16-29-25-17(3)21-23(27)20(5-2)22(18-12-8-6-9-13-18)26(24(21)28)19-14-10-7-11-15-19/h4,6-15,27H,1,5,16H2,2-3H3/b25-17-
InChIKeyNUXWNNUAPDEWOZ-UQQQWYQISA-N
MW388.47 g/mol
LogP4.70
Rot. Bonds7

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

5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one (PubChem CID 135473445) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one
PubChem CID135473445
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one
SMILESC=CCO/N=C(/C)c1c(O)c(CC)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C24H24N2O3/c1-4-16-29-25-17(3)21-23(27)20(5-2)22(18-12-8-6-9-13-18)26(24(21)28)19-14-10-7-11-15-19/h4,6-15,27H,1,5,16H2,2-3H3/b25-17-
InChIKeyNUXWNNUAPDEWOZ-UQQQWYQISA-N
XLogP4.70
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
5-ethyl-4-hydroxy-3-(N-hydroxyethanimidoyl)-1,6-diphenyl-2(1H)-pyridinone
CID 135401327
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
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)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one?
The IUPAC name of 5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one (CID 135473445) is 5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one?
The canonical SMILES for 5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one is C=CCO/N=C(/C)c1c(O)c(CC)c(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one?
The InChIKey is NUXWNNUAPDEWOZ-UQQQWYQISA-N. The full InChI is InChI=1S/C24H24N2O3/c1-4-16-29-25-17(3)21-23(27)20(5-2)22(18-12-8-6-9-13-18)26(24(21)28)19-14-10-7-11-15-19/h4,6-15,27H,1,5,16H2,2-3H3/b25-17-.
What are the key properties of 5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one?
5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one has a molecular weight of 388.47 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-3-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one is sourced from PubChem (CID 135473445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).