(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide

C9H12BrN3O — CID 79734122

IUPAC(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N)ncc1Br
InChIInChI=1S/C9H12BrN3O/c1-5-3-8(12-4-7(5)10)13-9(14)6(2)11/h3-4,6H,11H2,1-2H3,(H,12,13,14)/t6-/m0/s1
InChIKeyVUWZCVLGXFGZBW-LURJTMIESA-N
MW258.12 g/mol
LogP1.44
Rot. Bonds2

About (2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide

(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide (PubChem CID 79734122) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
PubChem CID79734122
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)N)ncc1Br
InChIInChI=1S/C9H12BrN3O/c1-5-3-8(12-4-7(5)10)13-9(14)6(2)11/h3-4,6H,11H2,1-2H3,(H,12,13,14)/t6-/m0/s1
InChIKeyVUWZCVLGXFGZBW-LURJTMIESA-N
XLogP1.44
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 79734420
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 112697409
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 79734521
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-3-methylsulfanylpropanamide
CID 75494689
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpentanamide
CID 104685319
2-amino-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybutanamide
CID 79734820
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
5-bromo-4-methylpyridin-2-amine;N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 162076548
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-phenylpropanamide
CID 79733322
N-(5-amino-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 18525004
1-amino-N-(5-bromo-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 79734115
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide (CID 79734122) is (2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide is Cc1cc(NC(=O)[C@H](C)N)ncc1Br.
What is the InChIKey of (2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide?
The InChIKey is VUWZCVLGXFGZBW-LURJTMIESA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-5-3-8(12-4-7(5)10)13-9(14)6(2)11/h3-4,6H,11H2,1-2H3,(H,12,13,14)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide?
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide has a molecular weight of 258.12 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 79734122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).