1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione

C17H16FN3O2 — CID 3962498

IUPAC1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccncc2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C17H16FN3O2/c18-13-2-1-3-14(10-13)21-16(22)11-15(17(21)23)20-9-6-12-4-7-19-8-5-12/h1-5,7-8,10,15,20H,6,9,11H2
InChIKeyBLBSYBUYXNCHIF-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.68
Rot. Bonds5

About 1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione

1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione (PubChem CID 3962498) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
PubChem CID3962498
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCCc2ccncc2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C17H16FN3O2/c18-13-2-1-3-14(10-13)21-16(22)11-15(17(21)23)20-9-6-12-4-7-19-8-5-12/h1-5,7-8,10,15,20H,6,9,11H2
InChIKeyBLBSYBUYXNCHIF-UHFFFAOYSA-N
XLogP1.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
(3R)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 792662
(3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 792666
1-cyclopropyl-3-[2-(3-fluorophenyl)ethylamino]pyrrolidine-2,5-dione
CID 43636842
(3R)-3-[(3-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 1311152
(3R)-3-[2-(4-chlorophenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 708153
3-[2-(4-chlorophenyl)ethylamino]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2877398
3-[2-(3-fluorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636840
(3S)-3-[2-(4-methoxyphenyl)ethylamino]-1-phenylpyrrolidine-2,5-dione
CID 742571
1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
CID 17324706
3-(2-fluoroanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844737
3-(3,4-dimethylanilino)-1-(3-fluorophenyl)pyrrolidine-2,5-dione
CID 43844727

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione (CID 3962498) is 1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione is O=C1CC(NCCc2ccncc2)C(=O)N1c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione?
The InChIKey is BLBSYBUYXNCHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c18-13-2-1-3-14(10-13)21-16(22)11-15(17(21)23)20-9-6-12-4-7-19-8-5-12/h1-5,7-8,10,15,20H,6,9,11H2.
What are the key properties of 1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione?
1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione has a molecular weight of 313.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 3962498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).