1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione

C12H15N3O3 — CID 43636158

IUPAC1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2ccc(OC)nc2)C1=O
InChIInChI=1S/C12H15N3O3/c1-3-15-11(16)6-9(12(15)17)14-8-4-5-10(18-2)13-7-8/h4-5,7,9,14H,3,6H2,1-2H3
InChIKeyLFNYBJZGGHBLCK-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.65
Rot. Bonds4

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

1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione (PubChem CID 43636158) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
PubChem CID43636158
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
SMILESCCN1C(=O)CC(Nc2ccc(OC)nc2)C1=O
InChIInChI=1S/C12H15N3O3/c1-3-15-11(16)6-9(12(15)17)14-8-4-5-10(18-2)13-7-8/h4-5,7,9,14H,3,6H2,1-2H3
InChIKeyLFNYBJZGGHBLCK-UHFFFAOYSA-N
XLogP0.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
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 1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione (CID 43636158) is 1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione is CCN1C(=O)CC(Nc2ccc(OC)nc2)C1=O.
What is the InChIKey of 1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The InChIKey is LFNYBJZGGHBLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-15-11(16)6-9(12(15)17)14-8-4-5-10(18-2)13-7-8/h4-5,7,9,14H,3,6H2,1-2H3.
What are the key properties of 1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione?
1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione has a molecular weight of 249.27 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 43636158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).