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

C16H21N3O2 — CID 43637589

IUPAC1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C2CCCC2)C1=O)c1cccnc1
InChIInChI=1S/C16H21N3O2/c1-11(12-5-4-8-17-10-12)18-14-9-15(20)19(16(14)21)13-6-2-3-7-13/h4-5,8,10-11,13-14,18H,2-3,6-7,9H2,1H3
InChIKeyKLEBHMMOPLCLDW-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.80
Rot. Bonds4

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

1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione (PubChem CID 43637589) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
PubChem CID43637589
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione
SMILESCC(NC1CC(=O)N(C2CCCC2)C1=O)c1cccnc1
InChIInChI=1S/C16H21N3O2/c1-11(12-5-4-8-17-10-12)18-14-9-15(20)19(16(14)21)13-6-2-3-7-13/h4-5,8,10-11,13-14,18H,2-3,6-7,9H2,1H3
InChIKeyKLEBHMMOPLCLDW-UHFFFAOYSA-N
XLogP1.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.80
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-methyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358036
1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione
CID 60934095
1-cyclopropyl-3-(1-pyridin-2-ylethylamino)pyrrolidine-2,5-dione
CID 43636781
N-(1-pyridin-3-ylethyl)cyclododecanamine
CID 43079395
N-[(1S)-1-pyridin-3-ylethyl]cycloheptanamine
CID 28646604
1-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]-3,4-dihydroquinolin-2-one
CID 81392821
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
1-cyclopropyl-3-(propan-2-ylamino)pyrrolidine-2,5-dione
CID 43636083
2-[[(1S)-1-pyridin-3-ylethyl]amino]cyclohexan-1-ol
CID 81404938
1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 43636029
1-methyl-3-[[(1R)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358038
3-(but-3-yn-2-ylamino)-1-cycloheptylpyrrolidine-2,5-dione
CID 114416373

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione (CID 43637589) is 1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione is CC(NC1CC(=O)N(C2CCCC2)C1=O)c1cccnc1.
What is the InChIKey of 1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione?
The InChIKey is KLEBHMMOPLCLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(12-5-4-8-17-10-12)18-14-9-15(20)19(16(14)21)13-6-2-3-7-13/h4-5,8,10-11,13-14,18H,2-3,6-7,9H2,1H3.
What are the key properties of 1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione?
1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-pyridin-3-ylethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).