2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride

C9H13BrClN3O — CID 126623961

IUPAC2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride
SMILESCCC(N)C(=O)Nc1cccc(Br)n1.Cl
InChIInChI=1S/C9H12BrN3O.ClH/c1-2-6(11)9(14)13-8-5-3-4-7(10)12-8;/h3-6H,2,11H2,1H3,(H,12,13,14);1H
InChIKeyAKWGQXGGXPUPLT-UHFFFAOYSA-N
MW294.58 g/mol
LogP1.94
Rot. Bonds3

About 2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride

2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride (PubChem CID 126623961) has the molecular formula C9H13BrClN3O and a molecular weight of 294.58 g/mol. Its IUPAC name is 2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride
PubChem CID126623961
Molecular FormulaC9H13BrClN3O
Molecular Weight294.58 g/mol
Exact Mass292.99
IUPAC Name2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride
SMILESCCC(N)C(=O)Nc1cccc(Br)n1.Cl
InChIInChI=1S/C9H12BrN3O.ClH/c1-2-6(11)9(14)13-8-5-3-4-7(10)12-8;/h3-6H,2,11H2,1H3,(H,12,13,14);1H
InChIKeyAKWGQXGGXPUPLT-UHFFFAOYSA-N
XLogP1.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.58
LogP ≤ 51.94
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

(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide
CID 130299804
N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555
N-(6-bromo-2-pyridinyl)-2-ethylhexanamide
CID 43520540
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate
CID 175278200
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
(2R)-2-amino-N-[6-(2-phenylphenoxy)-2-pyridinyl]butanamide
CID 146264478
butyl N-[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 172825180
(2S)-2-amino-N-(6-chloro-2-pyridinyl)pentanamide
CID 107570362
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
2-amino-N-(3-bromo-2-methylphenyl)butanamide
CID 103794806
2-amino-N-(3-methylphenyl)butanamide
CID 43649463

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride (CID 126623961) is 2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride is CCC(N)C(=O)Nc1cccc(Br)n1.Cl.
What is the InChIKey of 2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride?
The InChIKey is AKWGQXGGXPUPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O.ClH/c1-2-6(11)9(14)13-8-5-3-4-7(10)12-8;/h3-6H,2,11H2,1H3,(H,12,13,14);1H.
What are the key properties of 2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride?
2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride has a molecular weight of 294.58 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride is sourced from PubChem (CID 126623961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).