4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid

C11H13BrN2O3 — CID 103498673

IUPAC4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H13BrN2O3/c1-6(7(2)11(16)17)10(15)14-9-4-3-8(12)5-13-9/h3-7H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyJAVHPLZPGUZNPF-UHFFFAOYSA-N
MW301.14 g/mol
LogP2.14
Rot. Bonds4

About 4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103498673) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103498673
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C11H13BrN2O3/c1-6(7(2)11(16)17)10(15)14-9-4-3-8(12)5-13-9/h3-7H,1-2H3,(H,16,17)(H,13,14,15)
InChIKeyJAVHPLZPGUZNPF-UHFFFAOYSA-N
XLogP2.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
2-bromo-N-(5-bromo-2-pyridinyl)-3-methylbutanamide
CID 43114357
2-(2-bromophenoxy)-N-(5-bromo-2-pyridinyl)propanamide
CID 45147944
N-(5-bromo-2-pyridinyl)-2,2-bis(4-chlorophenyl)acetamide
CID 66848488
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
2-[(5-bromo-2-pyridinyl)amino]-3,3-dimethylbutanoic acid
CID 121472169
3-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66138511
(2S)-2-amino-N-(5-bromo-2-pyridinyl)-2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 167527674
1-amino-N-(5-bromo-2-pyridinyl)cyclopropane-1-carboxamide
CID 65466775
N-[1-[(5-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 60521847
N-(5-bromo-2-pyridinyl)-2-(2,5-dichlorophenoxy)propanamide
CID 45147954
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103498673) is 4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is JAVHPLZPGUZNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-6(7(2)11(16)17)10(15)14-9-4-3-8(12)5-13-9/h3-7H,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of 4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 301.14 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103498673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).