2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide

C12H18BrN3O — CID 105367068

IUPAC2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
SMILESCc1cnc(NCC(=O)NC(C)(C)C)c(Br)c1
InChIInChI=1S/C12H18BrN3O/c1-8-5-9(13)11(14-6-8)15-7-10(17)16-12(2,3)4/h5-6H,7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyHEEOYUZENQSIFJ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.48
Rot. Bonds3

About 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide

2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide (PubChem CID 105367068) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
PubChem CID105367068
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
SMILESCc1cnc(NCC(=O)NC(C)(C)C)c(Br)c1
InChIInChI=1S/C12H18BrN3O/c1-8-5-9(13)11(14-6-8)15-7-10(17)16-12(2,3)4/h5-6H,7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyHEEOYUZENQSIFJ-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide 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-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
CID 113293132
3-bromo-N-(2-bromoprop-2-enyl)-5-methylpyridin-2-amine
CID 105367126
3-bromo-N-(2-chloroprop-2-enyl)-5-methylpyridin-2-amine
CID 105367125
3-bromo-N-(2,2-dimethylbutyl)-5-methylpyridin-2-amine
CID 103462640
1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
CID 127009526
N-tert-butyl-2-[(5-methylpyridazin-3-yl)amino]acetamide
CID 106549887
2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 105367093
4-[(3-bromo-5-methyl-2-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106144830
N-tert-butyl-2-[(2-chloro-5-methylpyrimidin-4-yl)amino]acetamide
CID 115356881
3-bromo-N-butyl-5-methylpyridin-2-amine
CID 82477943
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
1-[(3-bromo-5-methyl-2-pyridinyl)amino]-3-methylbutan-2-ol
CID 105367163

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide (CID 105367068) is 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide is Cc1cnc(NCC(=O)NC(C)(C)C)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide?
The InChIKey is HEEOYUZENQSIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8-5-9(13)11(14-6-8)15-7-10(17)16-12(2,3)4/h5-6H,7H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide?
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide has a molecular weight of 300.20 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 105367068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).