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

C11H12BrN3O2 — CID 105367016

IUPAC3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione
SMILESCc1cnc(NC2CCC(=O)NC2=O)c(Br)c1
InChIInChI=1S/C11H12BrN3O2/c1-6-4-7(12)10(13-5-6)14-8-2-3-9(16)15-11(8)17/h4-5,8H,2-3H2,1H3,(H,13,14)(H,15,16,17)
InChIKeyKTLWWWWHXINQJD-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.37
Rot. Bonds2

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

3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione (PubChem CID 105367016) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione
PubChem CID105367016
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione
SMILESCc1cnc(NC2CCC(=O)NC2=O)c(Br)c1
InChIInChI=1S/C11H12BrN3O2/c1-6-4-7(12)10(13-5-6)14-8-2-3-9(16)15-11(8)17/h4-5,8H,2-3H2,1H3,(H,13,14)(H,15,16,17)
InChIKeyKTLWWWWHXINQJD-UHFFFAOYSA-N
XLogP1.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.37
H-Bond Donors ≤ 52
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-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione (CID 105367016) is 3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione is Cc1cnc(NC2CCC(=O)NC2=O)c(Br)c1.
What is the InChIKey of 3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione?
The InChIKey is KTLWWWWHXINQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-6-4-7(12)10(13-5-6)14-8-2-3-9(16)15-11(8)17/h4-5,8H,2-3H2,1H3,(H,13,14)(H,15,16,17).
What are the key properties of 3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione?
3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione has a molecular weight of 298.14 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 105367016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).