4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione

C24H20N2O5 — CID 91896451

IUPAC4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
SMILESCOc1ccc(OC)c(C2C(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/h3-14,20-21H,1-2H3
InChIKeyFWDCSNYZLUMPPC-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.25
Rot. Bonds6

About 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione

4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione (PubChem CID 91896451) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
PubChem CID91896451
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
SMILESCOc1ccc(OC)c(C2C(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/h3-14,20-21H,1-2H3
InChIKeyFWDCSNYZLUMPPC-UHFFFAOYSA-N
XLogP3.25
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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
2-[3-benzoyl-2-(2,5-dimethoxyphenyl)-4,5-dioxopyrrolidin-1-yl]ethyl-diethylazanium
CID 4750889
4-(4-methoxybenzoyl)-5-(2-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 123287039
5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 58045228
4-[hydroxy(phenyl)methylidene]-5-(3-methoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 2881785
ethyl 4-[2-(4-aminooxy-2-methoxyphenyl)-3-benzoyl-4,5-dioxopyrrolidin-1-yl]benzoate
CID 123653337
(5S)-5-(2,5-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 41043361
1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
CID 123469121
1-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxybenzoyl)-5-phenylpyrrolidine-2,3-dione
CID 3383739
tert-butyl 2-[2-[3-benzoyl-1-(4-methoxyphenyl)-4,5-dioxopyrrolidin-2-yl]-5-chlorophenoxy]acetate
CID 123824360
5-(2,5-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-(furan-2-carbonyl)pyrrolidine-2,3-dione
CID 44510876
5-(4-hydroxy-3-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-pyridin-3-ylpyrrolidine-2,3-dione
CID 2881611

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione (CID 91896451) is 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione is COc1ccc(OC)c(C2C(C(=O)c3ccccc3)C(=O)C(=O)N2c2cccnc2)c1.
What is the InChIKey of 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione?
The InChIKey is FWDCSNYZLUMPPC-UHFFFAOYSA-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/h3-14,20-21H,1-2H3.
What are the key properties of 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione?
4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione has a molecular weight of 416.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-pyridin-3-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 91896451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).