2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

C10H11BrF3N3O2 — CID 104505836

IUPAC2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1c(N)cn(CC(=O)NCC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C10H11BrF3N3O2/c1-5-6(15)2-17(9(19)8(5)11)3-7(18)16-4-10(12,13)14/h2H,3-4,15H2,1H3,(H,16,18)
InChIKeyOMCIPEWHORCREE-UHFFFAOYSA-N
MW342.12 g/mol
LogP1.18
Rot. Bonds3

About 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 104505836) has the molecular formula C10H11BrF3N3O2 and a molecular weight of 342.12 g/mol. Its IUPAC name is 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID104505836
Molecular FormulaC10H11BrF3N3O2
Molecular Weight342.12 g/mol
Exact Mass341.00
IUPAC Name2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1c(N)cn(CC(=O)NCC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C10H11BrF3N3O2/c1-5-6(15)2-17(9(19)8(5)11)3-7(18)16-4-10(12,13)14/h2H,3-4,15H2,1H3,(H,16,18)
InChIKeyOMCIPEWHORCREE-UHFFFAOYSA-N
XLogP1.18
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 104505836) is 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1c(N)cn(CC(=O)NCC(F)(F)F)c(=O)c1Br.
What is the InChIKey of 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OMCIPEWHORCREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3O2/c1-5-6(15)2-17(9(19)8(5)11)3-7(18)16-4-10(12,13)14/h2H,3-4,15H2,1H3,(H,16,18).
What are the key properties of 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 342.12 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-bromo-4-methyl-2-oxo-1-pyridinyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 104505836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).