N-(5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)pivalamide
Product Information
Molecular Formula
C17H27BN2O3
Molecular Weight
318.22
Description
N-(5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)pivalamide is a multifunctional compound employed in the biomedical sector. It unrivaled structural attributes and distinctive mechanism of action position it as an auspicious contender for the development of targeted therapies, particularly for drug-resistant cancers and inflammatory ailments. Moreover, this exceptional compound displays promise in advancing drug delivery systems.
Synonyms
2,2-dimethyl-N-[5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide; N-(5-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)pivalamide
IUPAC Name
2,2-dimethyl-N-[5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]propanamide
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2NC(=O)C(C)(C)C)C
InChI
InChI=1S/C17H27BN2O3/c1-11-9-12(18-22-16(5,6)17(7,8)23-18)13(19-10-11)20-14(21)15(2,3)4/h9-10H,1-8H3,(H,19,20,21)
InChI Key
PBTBPBSYLWBMPY-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H301
Precautionary Statement
P301 + P310
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
318.2114729 g/mol
Monoisotopic Mass
318.2114729 g/mol
Topological Polar Surface Area
60.4Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
443
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
