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

C11H17BrN4O — CID 113293132

IUPAC2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1ncc(Br)cc1N
InChIInChI=1S/C11H17BrN4O/c1-11(2,3)16-9(17)6-15-10-8(13)4-7(12)5-14-10/h4-5H,6,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyXYJKTKQOGCWGCE-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.75
Rot. Bonds3

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

2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide (PubChem CID 113293132) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
PubChem CID113293132
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide
SMILESCC(C)(C)NC(=O)CNc1ncc(Br)cc1N
InChIInChI=1S/C11H17BrN4O/c1-11(2,3)16-9(17)6-15-10-8(13)4-7(12)5-14-10/h4-5H,6,13H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyXYJKTKQOGCWGCE-UHFFFAOYSA-N
XLogP1.75
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-amino-5-bromo-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-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 105367068
2-amino-5-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 115357192
3-[[(3-amino-5-bromo-2-pyridinyl)amino]methyl]pentan-3-ol
CID 65102801
3-[(3-amino-5-bromo-2-pyridinyl)amino]-3-methylbutanamide
CID 106095644
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61228086
tert-butyl N-(3-amino-5-bromo-2-pyridinyl)carbamate
CID 66820532
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 113293343
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
5-bromo-N-tert-butyl-2-hydrazinylpyridine-3-carboxamide
CID 62238273
5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154564

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide (CID 113293132) is 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide is CC(C)(C)NC(=O)CNc1ncc(Br)cc1N.
What is the InChIKey of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide?
The InChIKey is XYJKTKQOGCWGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-11(2,3)16-9(17)6-15-10-8(13)4-7(12)5-14-10/h4-5H,6,13H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide?
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide has a molecular weight of 301.19 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 113293132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).