N-(5-Bromo-3-methyl-2-pyridinyl)-N-methylbenzamide

C₁₄H₁₃BrN₂OCAS 446299-80-5305.18 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₁₄H₁₃BrN₂O
Molar mass: 305.18 g/mol
Exact mass: 304.0211 Da
logP: 3.43Crippen estimate
Polar surface area: 33.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

446299-80-5

SMILES

Cc1cc(Br)cnc1N(C)C(=O)c1ccccc1

InChIKey

CSOQEDDCMIREKI-UHFFFAOYSA-N

InChI

InChI=1S/C14H13BrN2O/c1-10-8-12(15)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9H,1-2H3

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Names and synonyms

2 names

Benzamide, N-(5-bromo-3-methyl-2-pyridinyl)-N-methyl-
N-(5-Bromo-3-methylpyridin-2-yl)-N-methylbenzamide

Work with N-(5-Bromo-3-methyl-2-pyridinyl)-N-methylbenzamide

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

Boronic acid, [6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-446299-81-665 % similar 5-Bromo-2-carboxy-3-methylpyridine886365-43-141 % similar N,N-Dimethylbenzamide611-74-540 % similar Ethyl 7-[6-(benzoylmethylamino)-5-methyl-3-pyridinyl]-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylate446299-90-740 % similar Methyl 5-bromo-3-methylpicolinate213771-32-539 % similar 5-Bromo-N,3-dimethylpyridin-2-amine245765-66-639 % similar 5-Bromo-2,3-dimethylpyridine27063-90-739 % similar 2,5-Dibromo-3-methylpyridine3430-18-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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