4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione

C24H20N2O4 — CID 2949959

IUPAC4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCOc1cccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)C2c2ccc(C)cc2)c1
InChIInChI=1S/C24H20N2O4/c1-15-9-11-16(12-10-15)21-20(22(27)17-6-5-7-18(14-17)30-2)23(28)24(29)26(21)19-8-3-4-13-25-19/h3-14,21,27H,1-2H3
InChIKeyGKKREJHSXNXINH-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.02
Rot. Bonds4

About 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione

4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione (PubChem CID 2949959) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
PubChem CID2949959
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCOc1cccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)C2c2ccc(C)cc2)c1
InChIInChI=1S/C24H20N2O4/c1-15-9-11-16(12-10-15)21-20(22(27)17-6-5-7-18(14-17)30-2)23(28)24(29)26(21)19-8-3-4-13-25-19/h3-14,21,27H,1-2H3
InChIKeyGKKREJHSXNXINH-UHFFFAOYSA-N
XLogP4.02
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-phenyl-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 6710589
(4E)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-nitrophenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 6229800
5-(2-fluorophenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 4871914
(5S)-5-(4-bromophenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 40929434
(4E)-1-(2,5-dimethylphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108638715
5-(4-chlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 4262543
(5R)-5-(3,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 6751757
(5S)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-2-ylpyrrolidine-2,3-dione
CID 11918434
(5R)-4-[hydroxy(phenyl)methylidene]-5-(4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)pyrrolidine-2,3-dione
CID 1345644
(4Z)-5-(4-ethoxyphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 108594933
(4E)-1-(2,5-dimethylphenyl)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 108576025
(4E)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(3-methylphenyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108632626

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione (CID 2949959) is 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione is COc1cccc(C(O)=C2C(=O)C(=O)N(c3ccccn3)C2c2ccc(C)cc2)c1.
What is the InChIKey of 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione?
The InChIKey is GKKREJHSXNXINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-15-9-11-16(12-10-15)21-20(22(27)17-6-5-7-18(14-17)30-2)23(28)24(29)26(21)19-8-3-4-13-25-19/h3-14,21,27H,1-2H3.
What are the key properties of 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione?
4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione has a molecular weight of 400.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(4-methylphenyl)-1-pyridin-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 2949959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).