N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide

C₁₁H₁₄N₂O₂CAS 86847-64-5206.25 g/mol

Open in Covalent MOL file

Aldehyde Amide

Properties

Molecular formula: C₁₁H₁₄N₂O₂
Molar mass: 206.25 g/mol
Exact mass: 206.1055 Da
logP: 1.88Crippen estimate
Polar surface area: 59.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

86847-64-5

SMILES

CC(C)(C)C(=O)NC1=C(C=CC=N1)C=O

InChIKey

ANABHCSYKASRRW-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O2/c1-11(2,3)10(15)13-9-8(7-14)5-4-6-12-9/h4-7H,1-3H3,(H,12,13,15)

Weigh it out

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

Work with N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide

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-(3-Iodopyridin-2-yl)-2,2-dimethylpropanamide113975-31-862 % similar 2,2-Dimethyl-N-pyridin-2-yl-propionamide86847-59-852 % similar 2-Methylpyridine-3-carbaldehyde60032-57-744 % similar 2-Methoxypyridine-3-carbaldehyde71255-09-941 % similar 2-Bromonicotinaldehyde128071-75-040 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-340 % similar 2-Fluoro-3-pyridinecarboxaldehyde36404-90-740 % similar 2-Amino-3-pyridinecarboxaldehyde7521-41-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-2 Dimezone S13047-13-7 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile39108-47-9 (4-Aminophenyl)(morpholino)methanone51207-86-4 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline57883-28-0 1-(4-Nitrophenyl)piperidine6574-15-8 Phenylethylmalonamide7206-76-0 3-(Cbz-amino)-azetidine914348-04-2

Elsewhere

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