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'}

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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).