1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione

C22H18N2O4 — CID 91896005

IUPAC1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
SMILESCc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)C2c2cccnc2)o1
InChIInChI=1S/C22H18N2O4/c1-14-9-10-17(28-14)20(25)18-19(16-8-5-11-23-12-16)24(22(27)21(18)26)13-15-6-3-2-4-7-15/h2-12,18-19H,13H2,1H3
InChIKeyYRDUOKJCWFOFMN-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.13
Rot. Bonds5

About 1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione

1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione (PubChem CID 91896005) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
PubChem CID91896005
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
SMILESCc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)C2c2cccnc2)o1
InChIInChI=1S/C22H18N2O4/c1-14-9-10-17(28-14)20(25)18-19(16-8-5-11-23-12-16)24(22(27)21(18)26)13-15-6-3-2-4-7-15/h2-12,18-19H,13H2,1H3
InChIKeyYRDUOKJCWFOFMN-UHFFFAOYSA-N
XLogP3.13
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione?
The IUPAC name of 1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione (CID 91896005) is 1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione?
The canonical SMILES for 1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione is Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)C2c2cccnc2)o1.
What is the InChIKey of 1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione?
The InChIKey is YRDUOKJCWFOFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-14-9-10-17(28-14)20(25)18-19(16-8-5-11-23-12-16)24(22(27)21(18)26)13-15-6-3-2-4-7-15/h2-12,18-19H,13H2,1H3.
What are the key properties of 1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione?
1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione has a molecular weight of 374.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-methylfuran-2-carbonyl)-5-pyridin-3-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 91896005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).