4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one

C23H24N2O3 — CID 135401416

IUPAC4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one
SMILESC/C(=N\OCc1ccccc1)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H24N2O3/c1-16(2)20-14-21(26)22(23(27)25(20)19-12-8-5-9-13-19)17(3)24-28-15-18-10-6-4-7-11-18/h4-14,16,26H,15H2,1-3H3/b24-17+
InChIKeyGLBRNZCSXNFRNY-JJIBRWJFSA-N
MW376.46 g/mol
LogP4.61
Rot. Bonds6

About 4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one

4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one (PubChem CID 135401416) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one
PubChem CID135401416
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one
SMILESC/C(=N\OCc1ccccc1)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H24N2O3/c1-16(2)20-14-21(26)22(23(27)25(20)19-12-8-5-9-13-19)17(3)24-28-15-18-10-6-4-7-11-18/h4-14,16,26H,15H2,1-3H3/b24-17+
InChIKeyGLBRNZCSXNFRNY-JJIBRWJFSA-N
XLogP4.61
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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
4-hydroxy-1-phenyl-3-propyl-2(1H)-quinolinone
CID 54708974
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
3-[N-(allyloxy)ethanimidoyl]-5-ethyl-4-hydroxy-1,6-diphenyl-2(1H)-pyridinone
CID 135473445
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
3-[N-(cyclohexylmethyl)-C-methylcarbonimidoyl]-4-hydroxy-1H-quinolin-2-one
CID 162675887

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one (CID 135401416) is 4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one is C/C(=N\OCc1ccccc1)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one?
The InChIKey is GLBRNZCSXNFRNY-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16(2)20-14-21(26)22(23(27)25(20)19-12-8-5-9-13-19)17(3)24-28-15-18-10-6-4-7-11-18/h4-14,16,26H,15H2,1-3H3/b24-17+.
What are the key properties of 4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one?
4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one has a molecular weight of 376.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1-phenyl-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 135401416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).