2′,6′-Picolinoxylidide

C₁₄H₁₄N₂OCAS 39627-98-0226.28 g/mol

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Properties

Molecular formula: C₁₄H₁₄N₂O
Molar mass: 226.28 g/mol
Exact mass: 226.1106 Da
Melting point: 104 °C
logP: 3.33Crippen estimate
Polar surface area: 45.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed87.5% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

39627-98-0

SMILES

Cc1cccc(C)c1N=C(O)c1ccccn1

InChIKey

SHZDEASIMRREIQ-UHFFFAOYSA-N

InChI

InChI=1S/C14H14N2O/c1-10-6-5-7-11(2)13(10)16-14(17)12-8-3-4-9-15-12/h3-9H,1-2H3,(H,16,17)

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Names and synonyms

3 names

2',6'-Picolinoxylidide
N-(2,6-Dimethylphenyl)-2-pyridinecarboxamide
2-Pyridinecarboxamide, N-(2,6-dimethylphenyl)-

Work with 2′,6′-Picolinoxylidide

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-Chloro-N-(2-chloro-4-methyl-3-pyridinyl)-3-pyridinecarboxamide133627-46-049 % similar N-(2,6-Dimethylphenyl)acetamide2198-53-046 % similar 2-Pyridinecarboxamide1452-77-342 % similar Picolinic acid98-98-642 % similar 2-Chloro-N-(2,6-dimethylphenyl)acetamide1131-01-741 % similar 3-Methylpicolinic acid4021-07-241 % similar Nevirapine129618-40-240 % similar Tocainide41708-72-940 % similar

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

Same formula

Akardite II13114-72-2 Metyrapone54-36-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook