chempirical

Boronic acid, [6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-

C14H15BN2O3CAS 446299-81-6270.09 g/mol

Open in Covalent MOL file
BOHOHNNO
AmideBoronic acid

Properties

Molecular formula
C14H15BN2O3
Molar mass
270.09 g/mol
Exact mass
270.1176 Da
logP
0.35Crippen estimate
Polar surface area
73.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
446299-81-6
SMILES
Cc1cc(B(O)O)cnc1N(C)C(=O)c1ccccc1
InChIKey
GQPKXFCXPPHXQJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H15BN2O3/c1-10-8-12(15(19)20)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9,19-20H,1-2H3

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Type any one amount. The others follow from the molar mass.

Work with Boronic acid, [6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-

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

N-(5-Bromo-3-methyl-2-pyridinyl)-N-methylbenzamide446299-80-565 % similar 6-Bromo-5-methylpyridine-3-boronic acid1003043-34-241 % similar 6-Chloro-5-methylpyridine-3-boronic acid1003043-40-041 % similar (6-Fluoro-5-methylpyridin-3-yl)boronic acid904326-92-741 % similar Ethyl 7-[6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylate446299-90-738 % similar N,N-Dimethylbenzamide611-74-537 % similar 1-(Phenylmethyl) 3-boronobenzoate380430-52-437 % similar 3-Carboxyphenylboronic acid25487-66-535 % similar

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

Elsewhere

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