N,N-Diethylnicotinamide

C₁₀H₁₄N₂OCAS 59-26-7178.24 g/mol

Open in Covalent MOL file

Amide

Properties

Molecular formula: C₁₀H₁₄N₂O
Molar mass: 178.24 g/mol
Exact mass: 178.1106 Da
Melting point: 25 °C
Boiling point: 298 °C
Flash point: 112.8 °C
Water solubility: ≥ 100 g/L (22.8 °C)
logP: 1.56Crippen estimate
Polar surface area: 33.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation94.1% of notifiers
H319 Causes serious eye irritation95.3% of notifiers
H335 May cause respiratory irritation92.9% of notifiers

Aggregated from 85 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59-26-7

SMILES

CCN(CC)C(=O)c1cccnc1

InChIKey

NCYVXEGFNDZQCU-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

62 names · show all

3-Pyridinecarboxamide, N,N-diethyl-
Nicotinamide, N,N-diethyl-
N,N-Diethyl-3-pyridinecarboxamide
Anacardone
Anacordone
Astrocar
Carbamidal
Cardamine
Cardiamid
Cardiamine
Cardimon
Coracon
Cordiamin
Cordiamine
Corediol
Cormed
Cormid
Cornotone
Corvitol
Corvotone
Dynacoryl
Eucoran
Niamine
Nicamide
Nicetamide
Nicethamide
Nicorine
Nicotinic acid diethylamide
Nikardin
Nikethamide
Niketharol
Nikorin
Pyricardyl
Pyridine-3-carboxydiethylamide
Pyridine-3-carboxylic acid diethylamide
Reformin
Rehormin
Salvacard
Solyacord
Stimulin
Ventramine
Diethylnicotinamide
Ni-cor
Niketamide
Cardiamide
Coramine (pharmaceutical)
Kordiamin
Cormotyl
Sancora
Percoral
Corvin
Canfodiamina
Nikethyl
Niketamine
Coramine
Niquetamide
3-(N,N-Diethylcarbamoyl)pyridine
Ecoran
Coractiv N
NSC 130820
NSC 169863
NSC 62103

Work with N,N-Diethylnicotinamide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N-Diethylbenzamide1696-17-964 % similar 1-(3-Pyridyl)propan-1-one1570-48-554 % similar DEET134-62-354 % similar Ethyl nicotinate614-18-654 % similar Nicotinic anhydride16837-38-050 % similar 3-Acetylpyridine350-03-850 % similar Methyl nicotinate93-60-750 % similar 3-(N,N-Diethylaminocarbonyl)phenylboronic acid237413-05-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1-Piperazinyl)phenol1011-17-2 N,N-Diethyl-4-nitrosoaniline120-22-9 3-(Morpholin-4-yl)aniline159724-40-0 4-Acetyl-4-methylheptanedinitrile1681-17-0 4-Morpholinoaniline2524-67-6 2-Morpholinoaniline5585-33-1 p-(1-Piperazinyl)phenol56621-48-8 1-(3-Hydroxyphenyl)piperazine59817-32-2

Elsewhere

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