2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid

C13H18BrN3O3 — CID 62820100

IUPAC2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1ccc(Br)cn1)C(C)(C)C(=O)O
InChIInChI=1S/C13H18BrN3O3/c1-4-17(13(2,3)12(19)20)8-11(18)16-10-6-5-9(14)7-15-10/h5-7H,4,8H2,1-3H3,(H,19,20)(H,15,16,18)
InChIKeyYXOGAOUYOABMOJ-UHFFFAOYSA-N
MW344.21 g/mol
LogP1.97
Rot. Bonds6

About 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid

2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62820100) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62820100
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC Name2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(=O)Nc1ccc(Br)cn1)C(C)(C)C(=O)O
InChIInChI=1S/C13H18BrN3O3/c1-4-17(13(2,3)12(19)20)8-11(18)16-10-6-5-9(14)7-15-10/h5-7H,4,8H2,1-3H3,(H,19,20)(H,15,16,18)
InChIKeyYXOGAOUYOABMOJ-UHFFFAOYSA-N
XLogP1.97
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic 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

2-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,2-dimethylpropanamide
CID 119874977
N-(5-bromo-2-pyridinyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 84591088
2-[benzyl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 46665804
N-(5-bromo-2-pyridinyl)-2-[methyl(3-methylbutyl)amino]acetamide
CID 47287887
N-(5-bromo-2-pyridinyl)-2-ethoxyacetamide
CID 60655115
N-(5-bromo-2-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 62021912
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
N-(5-bromo-2-pyridinyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 51285623
5-[(5-bromo-2-pyridinyl)amino]-5-oxopentanoic acid
CID 764849
2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 66214675
N-(5-bromo-2-pyridinyl)-2-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]acetamide
CID 95166488
N-(5-bromo-2-pyridinyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 38171990

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid (CID 62820100) is 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid is CCN(CC(=O)Nc1ccc(Br)cn1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is YXOGAOUYOABMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c1-4-17(13(2,3)12(19)20)8-11(18)16-10-6-5-9(14)7-15-10/h5-7H,4,8H2,1-3H3,(H,19,20)(H,15,16,18).
What are the key properties of 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid?
2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 344.21 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).