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

C10H11N3O3 — CID 43637684

IUPAC3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)NC2=O)cn1
InChIInChI=1S/C10H11N3O3/c1-16-9-3-2-6(5-11-9)12-7-4-8(14)13-10(7)15/h2-3,5,7,12H,4H2,1H3,(H,13,14,15)
InChIKeyOSOMOAGBYMPAMZ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.08
Rot. Bonds3

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

3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione (PubChem CID 43637684) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
PubChem CID43637684
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione
SMILESCOc1ccc(NC2CC(=O)NC2=O)cn1
InChIInChI=1S/C10H11N3O3/c1-16-9-3-2-6(5-11-9)12-7-4-8(14)13-10(7)15/h2-3,5,7,12H,4H2,1H3,(H,13,14,15)
InChIKeyOSOMOAGBYMPAMZ-UHFFFAOYSA-N
XLogP-0.08
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.08
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-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione (CID 43637684) is 3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione is COc1ccc(NC2CC(=O)NC2=O)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione?
The InChIKey is OSOMOAGBYMPAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-16-9-3-2-6(5-11-9)12-7-4-8(14)13-10(7)15/h2-3,5,7,12H,4H2,1H3,(H,13,14,15).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione?
3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione has a molecular weight of 221.22 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 43637684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).