N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide

C9H11BrN2O — CID 18329347

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(Br)cc1C
InChIInChI=1S/C9H11BrN2O/c1-6-4-8(10)5-11-9(6)12(3)7(2)13/h4-5H,1-3H3
InChIKeyWNKRQVDUCURNCC-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.14
Rot. Bonds1

About N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide

N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide (PubChem CID 18329347) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide
PubChem CID18329347
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(Br)cc1C
InChIInChI=1S/C9H11BrN2O/c1-6-4-8(10)5-11-9(6)12(3)7(2)13/h4-5H,1-3H3
InChIKeyWNKRQVDUCURNCC-UHFFFAOYSA-N
XLogP2.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide 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 N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide (CID 18329347) is N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide is CC(=O)N(C)c1ncc(Br)cc1C.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide?
The InChIKey is WNKRQVDUCURNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-4-8(10)5-11-9(6)12(3)7(2)13/h4-5H,1-3H3.
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide?
N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide has a molecular weight of 243.10 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-N-methylacetamide is sourced from PubChem (CID 18329347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).