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

C24H20N2O5 — CID 3148986

IUPAC5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
SMILESCOc1cc(C2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2cccnc2)ccc1O
InChIInChI=1S/C24H20N2O5/c1-14-5-7-15(8-6-14)22(28)20-21(16-9-10-18(27)19(12-16)31-2)26(24(30)23(20)29)17-4-3-11-25-13-17/h3-13,21,27-28H,1-2H3
InChIKeyBDQHUXYXXFWNSY-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.73
Rot. Bonds4

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

5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione (PubChem CID 3148986) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
PubChem CID3148986
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
SMILESCOc1cc(C2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2cccnc2)ccc1O
InChIInChI=1S/C24H20N2O5/c1-14-5-7-15(8-6-14)22(28)20-21(16-9-10-18(27)19(12-16)31-2)26(24(30)23(20)29)17-4-3-11-25-13-17/h3-13,21,27-28H,1-2H3
InChIKeyBDQHUXYXXFWNSY-UHFFFAOYSA-N
XLogP3.73
TPSA99.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
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'}

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Related Compounds

5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 2881611
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 5345822
(5R)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-hydroxy-3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 1206353
(5S)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(3,4-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 1122914
(5R)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 1279513
(5R)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(3-methylphenyl)pyrrolidine-2,3-dione
CID 1119647
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methylphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 5345720
(5S)-4-[hydroxy-(4-methylphenyl)methylidene]-1-phenyl-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 40793640
4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 2881785
(5R)-5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-phenylpyrrolidine-2,3-dione
CID 41078689
(5R)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 1122903
(4Z)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 6614942

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione?
The IUPAC name of 5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione (CID 3148986) is 5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione?
The canonical SMILES for 5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione is COc1cc(C2C(=C(O)c3ccc(C)cc3)C(=O)C(=O)N2c2cccnc2)ccc1O.
What is the InChIKey of 5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione?
The InChIKey is BDQHUXYXXFWNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-14-5-7-15(8-6-14)22(28)20-21(16-9-10-18(27)19(12-16)31-2)26(24(30)23(20)29)17-4-3-11-25-13-17/h3-13,21,27-28H,1-2H3.
What are the key properties of 5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione?
5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione has a molecular weight of 416.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy-(4-methylphenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 3148986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).