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

C23H18N2O4 — CID 2881785

IUPAC4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
SMILESCOc1cccc(C2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1
InChIInChI=1S/C23H18N2O4/c1-29-18-11-5-9-16(13-18)20-19(21(26)15-7-3-2-4-8-15)22(27)23(28)25(20)17-10-6-12-24-14-17/h2-14,20,26H,1H3
InChIKeyUZZORQUQSGISHZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.72
Rot. Bonds4

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

4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione (PubChem CID 2881785) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
PubChem CID2881785
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
SMILESCOc1cccc(C2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1
InChIInChI=1S/C23H18N2O4/c1-29-18-11-5-9-16(13-18)20-19(21(26)15-7-3-2-4-8-15)22(27)23(28)25(20)17-10-6-12-24-14-17/h2-14,20,26H,1H3
InChIKeyUZZORQUQSGISHZ-UHFFFAOYSA-N
XLogP3.72
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.72
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)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 6614942
(5R)-5-(3-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 1037254
5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 2881611
(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(3-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108671227
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 1122903
(4Z)-4-[hydroxy-(3-methoxyphenyl)methylidene]-5-(3-hydroxyphenyl)-1-phenylpyrrolidine-2,3-dione
CID 108647460
(4Z)-4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-(4-propan-2-yloxyphenyl)pyrrolidine-2,3-dione
CID 108666859
(4E)-5-(4-ethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 5346688
(4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-methoxyphenyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108628447
(4E)-1-(3-chlorophenyl)-4-[hydroxy(phenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108629883
(5R)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-methoxyphenyl)pyrrolidine-2,3-dione
CID 1119659
(5S)-4-[hydroxy(phenyl)methylidene]-1-(3-methoxyphenyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
CID 1119656

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione (CID 2881785) is 4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione is COc1cccc(C2C(=C(O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1.
What is the InChIKey of 4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione?
The InChIKey is UZZORQUQSGISHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-29-18-11-5-9-16(13-18)20-19(21(26)15-7-3-2-4-8-15)22(27)23(28)25(20)17-10-6-12-24-14-17/h2-14,20,26H,1H3.
What are the key properties of 4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione?
4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione has a molecular weight of 386.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 2881785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).