3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride

C8H12BrCl2N3O2 — CID 119862492

IUPAC3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C8H10BrN3O2.2ClH/c9-5-3-6(8(14)11-4-5)12-7(13)1-2-10;;/h3-4H,1-2,10H2,(H,11,14)(H,12,13);2*1H
InChIKeyDGUJUJXAXSDJSH-UHFFFAOYSA-N
MW333.01 g/mol
LogP1.27
Rot. Bonds3

About 3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride

3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride (PubChem CID 119862492) has the molecular formula C8H12BrCl2N3O2 and a molecular weight of 333.01 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride
PubChem CID119862492
Molecular FormulaC8H12BrCl2N3O2
Molecular Weight333.01 g/mol
Exact Mass330.95
IUPAC Name3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride
SMILESCl.Cl.NCCC(=O)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C8H10BrN3O2.2ClH/c9-5-3-6(8(14)11-4-5)12-7(13)1-2-10;;/h3-4H,1-2,10H2,(H,11,14)(H,12,13);2*1H
InChIKeyDGUJUJXAXSDJSH-UHFFFAOYSA-N
XLogP1.27
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.01
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-oxo-1H-pyridin-3-yl)-4-(4-chlorophenyl)-4-oxobutanamide
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N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-(4-chlorophenoxy)acetamide
CID 84558529
(2R)-2-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide
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CID 119941546
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2-methylbenzamide
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3-amino-N-(5-bromo-2-ethoxyphenyl)propanamide
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3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
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2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
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3-(benzylsulfamoyl)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)benzamide
CID 60588277

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride (CID 119862492) is 3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride is Cl.Cl.NCCC(=O)Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of 3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride?
The InChIKey is DGUJUJXAXSDJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2.2ClH/c9-5-3-6(8(14)11-4-5)12-7(13)1-2-10;;/h3-4H,1-2,10H2,(H,11,14)(H,12,13);2*1H.
What are the key properties of 3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride?
3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride has a molecular weight of 333.01 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-oxo-1H-pyridin-3-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119862492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).