4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid

C10H11BrN2O3 — CID 19966484

IUPAC4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C10H11BrN2O3/c11-8-4-1-3-7(13-8)10(16)12-6-2-5-9(14)15/h1,3-4H,2,5-6H2,(H,12,16)(H,14,15)
InChIKeyZLZPIYQONFOUBJ-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.44
Rot. Bonds5

About 4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid

4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid (PubChem CID 19966484) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
PubChem CID19966484
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1cccc(Br)n1
InChIInChI=1S/C10H11BrN2O3/c11-8-4-1-3-7(13-8)10(16)12-6-2-5-9(14)15/h1,3-4H,2,5-6H2,(H,12,16)(H,14,15)
InChIKeyZLZPIYQONFOUBJ-UHFFFAOYSA-N
XLogP1.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(6-bromopyridine-2-carbonyl)amino]butanoic 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

methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
CID 18918524
6-bromo-N-(3,3-dimethylbutyl)pyridine-2-carboxamide
CID 103889719
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237
5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114037558
6-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 113351414
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
6-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]pyridine-2-carboxamide
CID 103879701
4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
CID 110464541
6-bromo-N-(3-hydroxypentyl)pyridine-2-carboxamide
CID 103917004
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
6-bromo-N-[2-oxo-2-(propylamino)ethyl]pyridine-2-carboxamide
CID 103879438
6-bromo-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 103889552

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid (CID 19966484) is 4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1cccc(Br)n1.
What is the InChIKey of 4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid?
The InChIKey is ZLZPIYQONFOUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c11-8-4-1-3-7(13-8)10(16)12-6-2-5-9(14)15/h1,3-4H,2,5-6H2,(H,12,16)(H,14,15).
What are the key properties of 4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid?
4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid has a molecular weight of 287.11 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 19966484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).