2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide

C12H18BrN3O — CID 62187326

IUPAC2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC(C)(C)C)C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H18BrN3O/c1-12(2,3)7-16(4)11(17)9-5-8(13)6-15-10(9)14/h5-6H,7H2,1-4H3,(H2,14,15)
InChIKeyBZCFVCCSWIWBNH-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.54
Rot. Bonds2

About 2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide

2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide (PubChem CID 62187326) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
PubChem CID62187326
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide
SMILESCN(CC(C)(C)C)C(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H18BrN3O/c1-12(2,3)7-16(4)11(17)9-5-8(13)6-15-10(9)14/h5-6H,7H2,1-4H3,(H2,14,15)
InChIKeyBZCFVCCSWIWBNH-UHFFFAOYSA-N
XLogP2.54
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide 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

5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79389658
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62160081
2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 55041629
2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide
CID 118238040
2-amino-5-bromo-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 55042078
2-amino-5-bromo-N-ethyl-N-(2-ethylbutyl)pyridine-3-carboxamide
CID 55041522
2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62160177
2-amino-5-bromo-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-3-carboxamide
CID 155213563
2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 115357192
2-amino-5-bromo-N-cyclopentyl-N-ethylpyridine-3-carboxamide
CID 62153959
5-bromo-N-(2,2-dimethylpropyl)-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65387477
2-amino-5-bromo-N-(3,3-dimethylbutan-2-yl)pyridine-3-carboxamide
CID 113458035

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide (CID 62187326) is 2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide is CN(CC(C)(C)C)C(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide?
The InChIKey is BZCFVCCSWIWBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-12(2,3)7-16(4)11(17)9-5-8(13)6-15-10(9)14/h5-6H,7H2,1-4H3,(H2,14,15).
What are the key properties of 2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide?
2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide has a molecular weight of 300.20 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(2,2-dimethylpropyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 62187326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).