1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione

C14H17N3O2 — CID 43637410

IUPAC1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccncc2)C(=O)N1C1CCCC1
InChIInChI=1S/C14H17N3O2/c18-13-9-12(16-10-5-7-15-8-6-10)14(19)17(13)11-3-1-2-4-11/h5-8,11-12H,1-4,9H2,(H,15,16)
InChIKeyWCMZDAWUWLWLJO-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.56
Rot. Bonds3

About 1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione

1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione (PubChem CID 43637410) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione
PubChem CID43637410
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccncc2)C(=O)N1C1CCCC1
InChIInChI=1S/C14H17N3O2/c18-13-9-12(16-10-5-7-15-8-6-10)14(19)17(13)11-3-1-2-4-11/h5-8,11-12H,1-4,9H2,(H,15,16)
InChIKeyWCMZDAWUWLWLJO-UHFFFAOYSA-N
XLogP1.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.56
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

3-anilino-1-cycloheptylpyrrolidine-2,5-dione
CID 43637260
(3R)-1-cyclopentyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione
CID 7456009
4-[(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 43637380
(3R)-1-cyclopentyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 7455923
1-cycloheptyl-3-(1,2-oxazol-4-ylamino)pyrrolidine-2,5-dione
CID 62903654
1-cyclohexyl-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2947183
1-cycloheptyl-3-[(1-methylpyrazol-4-yl)amino]pyrrolidine-2,5-dione
CID 43637603
1-cyclopropyl-3-(thiophen-3-ylamino)pyrrolidine-2,5-dione
CID 66349722
(3R)-3-(1,3-benzodioxol-5-ylamino)-1-cyclohexylpyrrolidine-2,5-dione
CID 7456103
(3S)-1-cyclopropyl-3-(4-ethylanilino)pyrrolidine-2,5-dione
CID 51454371
1-cyclopropyl-3-(quinoxalin-6-ylamino)pyrrolidine-2,5-dione
CID 60933132
1-cyclopropyl-3-[(4-methyl-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 55202075

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione (CID 43637410) is 1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccncc2)C(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione?
The InChIKey is WCMZDAWUWLWLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-9-12(16-10-5-7-15-8-6-10)14(19)17(13)11-3-1-2-4-11/h5-8,11-12H,1-4,9H2,(H,15,16).
What are the key properties of 1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione?
1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione has a molecular weight of 259.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(pyridin-4-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).