5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid

C17H17BrN2O3 — CID 10068146

IUPAC5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid
SMILESCCCCc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)nc1
InChIInChI=1S/C17H17BrN2O3/c1-2-3-4-11-5-7-15(19-10-11)16(21)20-14-8-6-12(18)9-13(14)17(22)23/h5-10H,2-4H2,1H3,(H,20,21)(H,22,23)
InChIKeyXQMKDTVNFHBXAJ-UHFFFAOYSA-N
MW377.24 g/mol
LogP4.14
Rot. Bonds6

About 5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid

5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid (PubChem CID 10068146) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is 5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid
PubChem CID10068146
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC Name5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid
SMILESCCCCc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)nc1
InChIInChI=1S/C17H17BrN2O3/c1-2-3-4-11-5-7-15(19-10-11)16(21)20-14-8-6-12(18)9-13(14)17(22)23/h5-10H,2-4H2,1H3,(H,20,21)(H,22,23)
InChIKeyXQMKDTVNFHBXAJ-UHFFFAOYSA-N
XLogP4.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-butylpyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 172619009
2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride
CID 172618946
5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
5-bromo-2-[(5-ethylfuran-2-carbonyl)amino]benzoic acid
CID 62073783
5-bromo-2-(butanoylamino)benzoic acid
CID 12631812
3-(5-butyl-2-pyridinyl)-3-oxopropanoic acid
CID 66692091
5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 62050351
5-bromo-2-[(4-propoxybenzoyl)amino]benzoic acid
CID 2258349
5-[[(2,5-dibromobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 114368194

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid (CID 10068146) is 5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid is CCCCc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)nc1.
What is the InChIKey of 5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is XQMKDTVNFHBXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-2-3-4-11-5-7-15(19-10-11)16(21)20-14-8-6-12(18)9-13(14)17(22)23/h5-10H,2-4H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid?
5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid has a molecular weight of 377.24 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-butylpyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 10068146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).