3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione

C13H14BrN3O2 — CID 79048184

IUPAC3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione
SMILESCc1nc(NC2CC(=O)N(C3CC3)C2=O)ccc1Br
InChIInChI=1S/C13H14BrN3O2/c1-7-9(14)4-5-11(15-7)16-10-6-12(18)17(13(10)19)8-2-3-8/h4-5,8,10H,2-3,6H2,1H3,(H,15,16)
InChIKeyRLLNQMGVCTZVIT-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.85
Rot. Bonds3

About 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione

3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione (PubChem CID 79048184) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione
PubChem CID79048184
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione
SMILESCc1nc(NC2CC(=O)N(C3CC3)C2=O)ccc1Br
InChIInChI=1S/C13H14BrN3O2/c1-7-9(14)4-5-11(15-7)16-10-6-12(18)17(13(10)19)8-2-3-8/h4-5,8,10H,2-3,6H2,1H3,(H,15,16)
InChIKeyRLLNQMGVCTZVIT-UHFFFAOYSA-N
XLogP1.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione (CID 79048184) is 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione is Cc1nc(NC2CC(=O)N(C3CC3)C2=O)ccc1Br.
What is the InChIKey of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione?
The InChIKey is RLLNQMGVCTZVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-7-9(14)4-5-11(15-7)16-10-6-12(18)17(13(10)19)8-2-3-8/h4-5,8,10H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione?
3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione has a molecular weight of 324.18 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-cyclopropylpyrrolidine-2,5-dione is sourced from PubChem (CID 79048184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).