1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione

C18H19N3O4 — CID 4746575

IUPAC1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCN(C)CCN1C(=O)C(=O)C(C(=O)c2ccco2)C1c1ccccn1
InChIInChI=1S/C18H19N3O4/c1-20(2)9-10-21-15(12-6-3-4-8-19-12)14(17(23)18(21)24)16(22)13-7-5-11-25-13/h3-8,11,14-15H,9-10H2,1-2H3
InChIKeyJZOMYIFVUYJDDI-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.19
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione

1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione (PubChem CID 4746575) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
PubChem CID4746575
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
SMILESCN(C)CCN1C(=O)C(=O)C(C(=O)c2ccco2)C1c1ccccn1
InChIInChI=1S/C18H19N3O4/c1-20(2)9-10-21-15(12-6-3-4-8-19-12)14(17(23)18(21)24)16(22)13-7-5-11-25-13/h3-8,11,14-15H,9-10H2,1-2H3
InChIKeyJZOMYIFVUYJDDI-UHFFFAOYSA-N
XLogP1.19
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.19
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

1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 5086510
5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione
CID 44510473
1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 91898048
3-(furan-2-carbonyl)-2-pyridin-2-yl-2,3-dihydrochromen-4-one
CID 163359898
1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
CID 82021519
1-[2-(dimethylamino)ethyl]-4-(4-fluorobenzoyl)-5-phenylpyrrolidine-2,3-dione
CID 4056654
1-[2-(dimethylamino)ethyl]-4-(3-methyl-4-phenylmethoxybenzoyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 91897254
4-(furan-2-carbonyl)-1-(2-methyltetrazol-5-yl)-5-phenylpyrrolidine-2,3-dione
CID 3420439
1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one
CID 142838497
5-(4-fluorophenyl)-4-(furan-2-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 4747622
3-(furan-2-carbonyl)-4-hydroxy-1-methyl-2-pyridin-2-yl-2H-pyrrol-5-one
CID 75793823
4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 91896461

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione (CID 4746575) is 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione is CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccco2)C1c1ccccn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
The InChIKey is JZOMYIFVUYJDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-20(2)9-10-21-15(12-6-3-4-8-19-12)14(17(23)18(21)24)16(22)13-7-5-11-25-13/h3-8,11,14-15H,9-10H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione?
1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione has a molecular weight of 341.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 4746575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).