2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide

C12H18BrN3O — CID 112699018

IUPAC2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1ncc(Br)cc1C
InChIInChI=1S/C12H18BrN3O/c1-4-16(5-2)11(17)8-15-12-9(3)6-10(13)7-14-12/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyKUICCURRWQLRJN-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.43
Rot. Bonds5

About 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide

2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide (PubChem CID 112699018) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
PubChem CID112699018
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1ncc(Br)cc1C
InChIInChI=1S/C12H18BrN3O/c1-4-16(5-2)11(17)8-15-12-9(3)6-10(13)7-14-12/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyKUICCURRWQLRJN-UHFFFAOYSA-N
XLogP2.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961
2-[(3-bromo-5-nitro-2-pyridinyl)amino]-N,N-diethylacetamide
CID 112696597
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113255900
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2,2-dimethylpropanoic acid
CID 167870567
N,N-diethyl-2-[(5-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 115658747
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551
N,N-diethyl-2-[(5-methylpyrimidin-2-yl)amino]acetamide
CID 115773989
2-(3,5-dimethylanilino)-N,N-diethylacetamide
CID 28582869
2-[(5-amino-3-methyl-2-pyridinyl)amino]-N,N-dimethylacetamide
CID 62476371
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-(ethylamino)pyridine-3-carboxamide
CID 83169522
3-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 79718907
1-N-(5-bromo-3-methyl-2-pyridinyl)-2-ethylbutane-1,2-diamine
CID 115306109

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide (CID 112699018) is 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CNc1ncc(Br)cc1C.
What is the InChIKey of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide?
The InChIKey is KUICCURRWQLRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-4-16(5-2)11(17)8-15-12-9(3)6-10(13)7-14-12/h6-7H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide?
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide has a molecular weight of 300.20 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 112699018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).