N-2-Pyridinyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C18H21BN2O3CAS 1383385-64-5324.19 g/mol

Open in Covalent MOL file
BOOOHNN
AmideBoronic ester

Properties

Molecular formula
C18H21BN2O3
Molar mass
324.19 g/mol
Exact mass
324.1645 Da
logP
2.63Crippen estimate
Polar surface area
60.5 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
1383385-64-5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=N3
InChIKey
BFQWQKOPPQDARN-UHFFFAOYSA-N
InChI
InChI=1S/C18H21BN2O3/c1-17(2)18(3,4)24-19(23-17)14-10-8-13(9-11-14)16(22)21-15-7-5-6-12-20-15/h5-12H,1-4H3,(H,20,21,22)

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Names and synonyms

1 names
  • N-Pyridin-2-yl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamide

Work with N-2-Pyridinyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

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

4-(Pyridin-2-yl)aminocarbonylphenylboronic acid850568-25-162 % similar 1-(4-Phenylboronic acid pinacol ester)-1,2,2-triphenylethene1260865-91-550 % similar Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate171364-80-050 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide179117-44-349 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid180516-87-448 % similar tert-Butyl N-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)carbamate910462-31-647 % similar 4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide214360-60-846 % similar 2-(Boc-amino)pyridine38427-94-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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