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

C₁₃H₁₉BN₂O₃CAS 1220220-21-2262.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₉BN₂O₃
Molar mass: 262.12 g/mol
Exact mass: 262.1489 Da
logP: 1.99Crippen estimate
Polar surface area: 63.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

1220220-21-2

SMILES

CC(O)=Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1

InChIKey

LXSZMGQQXZXQKX-UHFFFAOYSA-N

InChI

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

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Names and synonyms

3 names

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

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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine458532-86-056 % similar 2-Aminopyridine-4-boronic acid pinacol ester1195995-72-252 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile741709-62-649 % similar N-2-Pyridinylacetamide5231-96-944 % similar 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol214360-76-641 % similar 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole1007206-54-340 % similar 2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine445264-61-940 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole269410-24-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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