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N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide

N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide

Name: N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide
Brand: BOC Sciences
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Molecular Formula:

C13H19BN2O3

Molecular Weight:

262.113

CAS Number:

904326-87-0

Catalog Number:

904326-87-0

Product Information

Molecular Formula:

C13H19BN2O3

Molecular Weight:

262.113

Description

N-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide is a remarkable biomedical versatile compound that holds significant promise in combating select diseases. Demonstrating its power as an impressive inhibitor, it effectively thwarts the progression of these ailments by specifically targeting and neutralizing crucial enzymes.

Synonyms

N-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridyl]acetamide

IUPAC Name

N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]acetamide

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NC(=O)C

InChI

InChI=1S/C13H19BN2O3/c1-9(17)16-11-7-6-10(8-15-11)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3,(H,15,16,17)

InChI Key

YCWPTBAHVWJMEY-UHFFFAOYSA-N

Melting Point

130-134 °C

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

262.1488726 g/mol

Monoisotopic Mass

262.1488726 g/mol

Topological Polar Surface Area

60.4Å²

Heavy Atom Count

Formal Charge

Complexity

344

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
US-2020361939-A1	Modulators of alpha-1 antitrypsin	2019-05-14
TW-202104223-A	Phosphatidylinositol 3-kinase inhibitors	2019-04-10
CN-114025756-A	Phosphatidylinositol 3-kinase inhibitors	2019-04-10
KR-20210150491-A	Phosphatidylinositol 3-kinase inhibitor	2019-04-10
US-2019076401-A1	Cyanoindazole compounds and uses thereof	2017-09-08
US-10722495-B2	Cyanoindazole compounds and uses thereof	2017-09-08
EA-038109-B1	INHIBITORS OF WDR5 PROTEIN BINDING WITH PROTEINS	2016-03-01
KR-20180025896-A	As IRAK-4 inhibitors, indazole and azindazole compounds	2015-07-15
US-2018201609-A1	Indazole and azaindazole compounds as irak-4 inhibitors	2015-07-15
US-10266532-B2	Tricyclic modulators of TNF signaling	2015-04-17