(4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione

C24H20N2O5 — CID 6614942

IUPAC(4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
SMILESCOc1ccc(OC)c(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1
InChIInChI=1S/C24H20N2O5/c1-30-17-10-11-19(31-2)18(13-17)21-20(22(27)15-7-4-3-5-8-15)23(28)24(29)26(21)16-9-6-12-25-14-16/h3-14,21,27H,1-2H3/b22-20-
InChIKeyWBTAEIJMGSAPIV-XDOYNYLZSA-N
MW416.43 g/mol
LogP3.73
Rot. Bonds5

About (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione

(4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione (PubChem CID 6614942) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
PubChem CID6614942
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name(4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
SMILESCOc1ccc(OC)c(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1
InChIInChI=1S/C24H20N2O5/c1-30-17-10-11-19(31-2)18(13-17)21-20(22(27)15-7-4-3-5-8-15)23(28)24(29)26(21)16-9-6-12-25-14-16/h3-14,21,27H,1-2H3/b22-20-
InChIKeyWBTAEIJMGSAPIV-XDOYNYLZSA-N
XLogP3.73
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 2881785
(5R)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(2,5-dimethoxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 40616410
(5S)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 41043361
5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 2881611
5-(2,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 2888952
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 1122903
(5S)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 1122914
5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
CID 3802453
5-(2,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 5123298
(4E)-5-(4-ethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 5346688
(4Z)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-phenyl-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108629728
(4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-methoxyphenyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108628447

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione?
The IUPAC name of (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione (CID 6614942) is (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione.
What is the SMILES notation for (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione?
The canonical SMILES for (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione is COc1ccc(OC)c(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1.
What is the InChIKey of (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione?
The InChIKey is WBTAEIJMGSAPIV-XDOYNYLZSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-30-17-10-11-19(31-2)18(13-17)21-20(22(27)15-7-4-3-5-8-15)23(28)24(29)26(21)16-9-6-12-25-14-16/h3-14,21,27H,1-2H3/b22-20-.
What are the key properties of (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione?
(4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione has a molecular weight of 416.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 6614942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).