5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid

C12H15BrN2O3 — CID 114037558

IUPAC5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN2O3/c1-8(5-6-11(16)17)7-14-12(18)9-3-2-4-10(13)15-9/h2-4,8H,5-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyZPBSZAZMLAIIGA-UHFFFAOYSA-N
MW315.17 g/mol
LogP2.07
Rot. Bonds6

About 5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid

5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 114037558) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID114037558
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1cccc(Br)n1
InChIInChI=1S/C12H15BrN2O3/c1-8(5-6-11(16)17)7-14-12(18)9-3-2-4-10(13)15-9/h2-4,8H,5-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyZPBSZAZMLAIIGA-UHFFFAOYSA-N
XLogP2.07
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 103916694
6-bromo-N-(3-methylbutyl)pyridine-2-carboxamide
CID 21352691
4-[(6-bromopyridine-2-carbonyl)amino]butanoic acid
CID 19966484
4-methyl-5-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 82684188
6-bromo-N-(2-cyanopropyl)pyridine-2-carboxamide
CID 103875341
5-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 82684044
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009749
6-bromo-N-(3-methylsulfanylbutyl)pyridine-2-carboxamide
CID 103916813
5-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82009834
5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230
6-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 18668624
N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
CID 66089048

Frequently Asked Questions

What is the IUPAC name of 5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid (CID 114037558) is 5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)c1cccc(Br)n1.
What is the InChIKey of 5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is ZPBSZAZMLAIIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-8(5-6-11(16)17)7-14-12(18)9-3-2-4-10(13)15-9/h2-4,8H,5-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid?
5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 315.17 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 114037558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).