1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione

C14H19N3O2 — CID 82735197

IUPAC1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
SMILESCCc1cccnc1CNC1CC(=O)N(CC)C1=O
InChIInChI=1S/C14H19N3O2/c1-3-10-6-5-7-15-12(10)9-16-11-8-13(18)17(4-2)14(11)19/h5-7,11,16H,3-4,8-9H2,1-2H3
InChIKeyFECLQDSXRDOEAY-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.88
Rot. Bonds5

About 1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione

1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione (PubChem CID 82735197) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
PubChem CID82735197
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione
SMILESCCc1cccnc1CNC1CC(=O)N(CC)C1=O
InChIInChI=1S/C14H19N3O2/c1-3-10-6-5-7-15-12(10)9-16-11-8-13(18)17(4-2)14(11)19/h5-7,11,16H,3-4,8-9H2,1-2H3
InChIKeyFECLQDSXRDOEAY-UHFFFAOYSA-N
XLogP0.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione (CID 82735197) is 1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione is CCc1cccnc1CNC1CC(=O)N(CC)C1=O.
What is the InChIKey of 1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione?
The InChIKey is FECLQDSXRDOEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-10-6-5-7-15-12(10)9-16-11-8-13(18)17(4-2)14(11)19/h5-7,11,16H,3-4,8-9H2,1-2H3.
What are the key properties of 1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione?
1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-ethyl-2-pyridinyl)methylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 82735197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).