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N,N-Diethylnicotinamide
CAS: 59-26-7 | C10H14N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
59-26-7
Molecular Formula:
C10H14N2O
Molecular Weight:
178.235 g/mol
Names and Synonyms:
N,N-Diethylnicotinamide
Common Name
Niketamine
Synonym
Nikethyl
Synonym
Canfodiamina
Synonym
Corvin
Synonym
Percoral
Synonym
Sancora
Synonym
Cormotyl
Synonym
Kordiamin
Synonym
Coramine (pharmaceutical)
Synonym
Cardiamide
Synonym
Niketamide
Synonym
Ni-Cor
Synonym
Diethylnicotinamide
Synonym
Ventramine
Synonym
Stimulin
Synonym
Solyacord
Synonym
Salvacard
Synonym
Rehormin
Synonym
Reformin
Synonym
Pyridine-3-carboxylic acid diethylamide
Synonym
Pyridine-3-carboxydiethylamide
Synonym
Pyricardyl
Synonym
Nikorin
Synonym
Niketharol
Synonym
Nikethamide
Synonym
Nikardin
Synonym
Nicotinic acid diethylamide
Synonym
Nicorine
Synonym
Nicethamide
Synonym
Nicetamide
Synonym
Nicamide
Synonym
Niamine
Synonym
Eucoran
Synonym
Dynacoryl
Synonym
N,N-Diethylnicotinamide
Synonym
Corvotone
Synonym
Corvitol
Synonym
Cornotone
Synonym
Cormid
Synonym
Cormed
Synonym
Corediol
Synonym
Cordiamine
Synonym
Cordiamin
Synonym
Coracon
Synonym
Cardimon
Synonym
Cardiamine
Synonym
Cardiamid
Synonym
Cardamine
Synonym
Carbamidal
Synonym
Astrocar
Synonym
Anacordone
Synonym
Anacardone
Synonym
N,N-Diethyl-3-pyridinecarboxamide
Synonym
Nicotinamide, N,N-diethyl-
Synonym
3-Pyridinecarboxamide, N,N-diethyl-
Synonym
Coramine
Synonym
Niquetamide
Synonym
3-(N,N-Diethylcarbamoyl)pyridine
Synonym
Ecoran
Synonym
Coractiv N
Synonym
NSC 130820
Synonym
NSC 169863
Synonym
NSC 62103
Synonym
Identifiers:
SMILES:
CCN(CC)C(=O)c1cccnc1
InChI:
InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 178.235 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 178.110613068 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 13 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 33.2 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.5636 | RDKit |
| molecular_mass | 178.23 g/mol | Legacy Database |
| cas-boiling-point | 298 °C None | Legacy Database |
| cas-canonical-smile | O=C(C=1C=NC=CC1)N(CC)CC None | Legacy Database |
| cas-inchi | InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NCYVXEGFNDZQCU-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 25 °C None | Legacy Database |
| cas-name | N,N-Diethylnicotinamide None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 51.48850000000004 | RDKit |