1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione

C22H24FN3O3 — CID 4248005

IUPAC1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione
SMILESCCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccncc2)C1c1cccc(F)c1
InChIInChI=1S/C22H24FN3O3/c1-3-25(4-2)12-13-26-19(16-6-5-7-17(23)14-16)18(21(28)22(26)29)20(27)15-8-10-24-11-9-15/h5-11,14,18-19H,3-4,12-13H2,1-2H3
InChIKeySXZXQAZAOKSFTA-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.51
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione

1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione (PubChem CID 4248005) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione
PubChem CID4248005
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione
SMILESCCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccncc2)C1c1cccc(F)c1
InChIInChI=1S/C22H24FN3O3/c1-3-25(4-2)12-13-26-19(16-6-5-7-17(23)14-16)18(21(28)22(26)29)20(27)15-8-10-24-11-9-15/h5-11,14,18-19H,3-4,12-13H2,1-2H3
InChIKeySXZXQAZAOKSFTA-UHFFFAOYSA-N
XLogP2.51
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.51
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'}

Analyze 1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(diethylamino)ethyl]-4-(4-methoxy-2-methylbenzoyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 4757790
1-[2-(dimethylamino)ethyl]-4-(4-fluorobenzoyl)-5-phenylpyrrolidine-2,3-dione
CID 4056654
1-[3-(diethylamino)propyl]-4-(4-methylbenzoyl)-5-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidine-2,3-dione
CID 5054634
1-[2-(diethylamino)ethyl]-4-(4-morpholin-4-ylsulfonylbenzoyl)-5-phenylpyrrolidine-2,3-dione
CID 91897851
1-[3-(dimethylamino)propyl]-4-(3-methoxybenzoyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 4752919
(4Z,5R)-1-[2-(diethylamino)ethyl]-4-[hydroxy(pyridin-4-yl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 6995488
(5S)-5-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
CID 28989828
1-[2-(diethylamino)ethyl]-4-(5-methylfuran-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 91898048
1-[3-(dimethylamino)propyl]-5-(3-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
CID 3957110
(4Z)-1-[3-(dimethylamino)propyl]-5-(3-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
CID 6083591
1-[2-(dimethylamino)ethyl]-4-(3-methyl-4-phenylmethoxybenzoyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 91897254
(4E)-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-4-[hydroxy(pyridin-4-yl)methylidene]pyrrolidine-2,3-dione
CID 5389965

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione (CID 4248005) is 1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione is CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccncc2)C1c1cccc(F)c1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione?
The InChIKey is SXZXQAZAOKSFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-3-25(4-2)12-13-26-19(16-6-5-7-17(23)14-16)18(21(28)22(26)29)20(27)15-8-10-24-11-9-15/h5-11,14,18-19H,3-4,12-13H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione?
1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione has a molecular weight of 397.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-5-(3-fluorophenyl)-4-(pyridine-4-carbonyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 4248005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).