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

C23H22N2O3 — CID 135473442

IUPAC4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one
SMILESC=CCO/N=C(\C)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H22N2O3/c1-4-15-28-24-17(3)20-22(26)16(2)21(18-11-7-5-8-12-18)25(23(20)27)19-13-9-6-10-14-19/h4-14,26H,1,15H2,2-3H3/b24-17+
InChIKeyBLAWSDSRGLMSEA-JJIBRWJFSA-N
MW374.44 g/mol
LogP4.45
Rot. Bonds6

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

4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one (PubChem CID 135473442) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one
PubChem CID135473442
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one
SMILESC=CCO/N=C(\C)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H22N2O3/c1-4-15-28-24-17(3)20-22(26)16(2)21(18-11-7-5-8-12-18)25(23(20)27)19-13-9-6-10-14-19/h4-14,26H,1,15H2,2-3H3/b24-17+
InChIKeyBLAWSDSRGLMSEA-JJIBRWJFSA-N
XLogP4.45
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.45
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]-5-ethyl-4-hydroxy-1,6-diphenyl-2(1H)-pyridinone
CID 135473445
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
3-(N-ethoxyethanimidoyl)-5-ethyl-4-hydroxy-1,6-diphenyl-2(1H)-pyridinone
CID 135473446

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one?
The IUPAC name of 4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one (CID 135473442) is 4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one is C=CCO/N=C(\C)c1c(O)c(C)c(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one?
The InChIKey is BLAWSDSRGLMSEA-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-4-15-28-24-17(3)20-22(26)16(2)21(18-11-7-5-8-12-18)25(23(20)27)19-13-9-6-10-14-19/h4-14,26H,1,15H2,2-3H3/b24-17+.
What are the key properties of 4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one?
4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one has a molecular weight of 374.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-3-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,6-diphenylpyridin-2-one is sourced from PubChem (CID 135473442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).