N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide

C9H11BrN2O2 — CID 71860154

IUPACN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide
SMILESCCC(=O)Nc1cc(Br)cn(C)c1=O
InChIInChI=1S/C9H11BrN2O2/c1-3-8(13)11-7-4-6(10)5-12(2)9(7)14/h4-5H,3H2,1-2H3,(H,11,13)
InChIKeyQAKLZPHZJSZPHA-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.50
Rot. Bonds2

About N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide

N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide (PubChem CID 71860154) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide
PubChem CID71860154
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide
SMILESCCC(=O)Nc1cc(Br)cn(C)c1=O
InChIInChI=1S/C9H11BrN2O2/c1-3-8(13)11-7-4-6(10)5-12(2)9(7)14/h4-5H,3H2,1-2H3,(H,11,13)
InChIKeyQAKLZPHZJSZPHA-UHFFFAOYSA-N
XLogP1.50
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide?
The IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide (CID 71860154) is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide.
What is the SMILES notation for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide?
The canonical SMILES for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide is CCC(=O)Nc1cc(Br)cn(C)c1=O.
What is the InChIKey of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide?
The InChIKey is QAKLZPHZJSZPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-3-8(13)11-7-4-6(10)5-12(2)9(7)14/h4-5H,3H2,1-2H3,(H,11,13).
What are the key properties of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide?
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide has a molecular weight of 259.10 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)propanamide is sourced from PubChem (CID 71860154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).