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

C14H19BrN2O3 — CID 83166512

IUPAC4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)Nc1ncc(Br)cc1C)C(=O)O
InChIInChI=1S/C14H19BrN2O3/c1-4-14(5-2,13(19)20)7-11(18)17-12-9(3)6-10(15)8-16-12/h6,8H,4-5,7H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyMQKZRVXNVJFHDU-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.37
Rot. Bonds6

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

4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid (PubChem CID 83166512) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
PubChem CID83166512
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
SMILESCCC(CC)(CC(=O)Nc1ncc(Br)cc1C)C(=O)O
InChIInChI=1S/C14H19BrN2O3/c1-4-14(5-2,13(19)20)7-11(18)17-12-9(3)6-10(15)8-16-12/h6,8H,4-5,7H2,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyMQKZRVXNVJFHDU-UHFFFAOYSA-N
XLogP3.37
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-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-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
CID 167870567
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 81489668
N-(5-bromo-3-methyl-2-pyridinyl)-2-carbamothioyl-2-ethylbutanamide
CID 83170222
N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 83171017
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551
N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 67362705
2-(azetidin-3-yl)-N-(5-bromo-3-methyl-2-pyridinyl)acetamide
CID 83170220
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
1-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 83170239
N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide
CID 81489498
4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 114931869

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid (CID 83166512) is 4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid is CCC(CC)(CC(=O)Nc1ncc(Br)cc1C)C(=O)O.
What is the InChIKey of 4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is MQKZRVXNVJFHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-4-14(5-2,13(19)20)7-11(18)17-12-9(3)6-10(15)8-16-12/h6,8H,4-5,7H2,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid?
4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 343.22 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 83166512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).