3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione

C12H15N3O3 — CID 54866746

IUPAC3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione
SMILESCCCn1cc(NC2CC(=O)NC2=O)ccc1=O
InChIInChI=1S/C12H15N3O3/c1-2-5-15-7-8(3-4-11(15)17)13-9-6-10(16)14-12(9)18/h3-4,7,9,13H,2,5-6H2,1H3,(H,14,16,18)
InChIKeyZZXLDGCTXBMUPA-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.09
Rot. Bonds4

About 3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione

3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione (PubChem CID 54866746) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione
PubChem CID54866746
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione
SMILESCCCn1cc(NC2CC(=O)NC2=O)ccc1=O
InChIInChI=1S/C12H15N3O3/c1-2-5-15-7-8(3-4-11(15)17)13-9-6-10(16)14-12(9)18/h3-4,7,9,13H,2,5-6H2,1H3,(H,14,16,18)
InChIKeyZZXLDGCTXBMUPA-UHFFFAOYSA-N
XLogP0.09
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-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

3-(4-butylanilino)pyrrolidine-2,5-dione
CID 43637893
5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one
CID 65080429
5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one
CID 54863769
5-(3,4-dihydro-2H-thiochromen-4-ylamino)-1-propylpyridin-2-one
CID 60942800
5-(3,4-dihydro-1H-isothiochromen-4-ylamino)-1-propylpyridin-2-one
CID 60943051
5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one
CID 65091016
5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one
CID 65046145
5-[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-propylpyridin-2-one
CID 82012022
tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103759555
1-amino-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 65465309
5-(cyclopropylamino)-1-ethylpyridin-2-one
CID 103439175
1-(2-methoxyethyl)-5-[(1-propylpiperidin-4-yl)amino]pyridin-2-one
CID 43733440

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione (CID 54866746) is 3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione is CCCn1cc(NC2CC(=O)NC2=O)ccc1=O.
What is the InChIKey of 3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The InChIKey is ZZXLDGCTXBMUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-2-5-15-7-8(3-4-11(15)17)13-9-6-10(16)14-12(9)18/h3-4,7,9,13H,2,5-6H2,1H3,(H,14,16,18).
What are the key properties of 3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione?
3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione has a molecular weight of 249.27 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 54866746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).