(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide

C10H14BrN3O — CID 130299804

IUPAC(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C10H14BrN3O/c1-6(2)9(12)10(15)14-8-5-3-4-7(11)13-8/h3-6,9H,12H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyXTROZOVEXISRJR-VIFPVBQESA-N
MW272.15 g/mol
LogP1.77
Rot. Bonds3

About (2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide

(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide (PubChem CID 130299804) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide
PubChem CID130299804
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)Nc1cccc(Br)n1
InChIInChI=1S/C10H14BrN3O/c1-6(2)9(12)10(15)14-8-5-3-4-7(11)13-8/h3-6,9H,12H2,1-2H3,(H,13,14,15)/t9-/m0/s1
InChIKeyXTROZOVEXISRJR-VIFPVBQESA-N
XLogP1.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.77
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-3-methyl-N-(6-methyl-2-pyridinyl)butanamide
CID 22689866
2-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813269
2-amino-N-(6-bromo-2-pyridinyl)butanamide;hydrochloride
CID 126623961
[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl] carbamate
CID 175278200
2-amino-3-methyl-N-(6-phenyl-2-pyridinyl)butanamide
CID 110481515
N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555
[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid
CID 130299536
2-[(6-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106346848
butyl N-[1-[(6-bromo-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 172825180
N-(6-bromo-2-pyridinyl)propanamide
CID 43520454
2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
CID 116795069
tert-butyl N-[(2S)-1-[(6-bromo-2-pyridinyl)amino]-1-oxopropan-2-yl]carbamate
CID 130325015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide (CID 130299804) is (2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide is CC(C)[C@H](N)C(=O)Nc1cccc(Br)n1.
What is the InChIKey of (2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide?
The InChIKey is XTROZOVEXISRJR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-6(2)9(12)10(15)14-8-5-3-4-7(11)13-8/h3-6,9H,12H2,1-2H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide?
(2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide has a molecular weight of 272.15 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-bromo-2-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 130299804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).