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N-(Pyridin-4-Yl)Pivalamide
CAS: 70298-89-4 | C10H14N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
70298-89-4
Molecular Formula:
C10H14N2O
Molecular Mass:
178.23 g/mol
Names and Synonyms:
N-(Pyridin-4-Yl)Pivalamide
Propanamide, 2,2-dimethyl-N-4-pyridinyl-
2,2-Dimethyl-N-4-pyridinylpropanamide
4-(tert-Butylcarbonylamino)pyridine
2,2-Dimethyl-N-(4-pyridinyl)propanamide
NSC 206407
4-(Pivaloylamino)pyridine
N-(Pyridin-4-yl)pivalamide
Identifiers:
SMILES:
CC(C)(C)C(=O)N=c1cc[nH]cc1
InChI:
InChI=1S/C10H14N2O/c1-10(2,3)9(13)12-8-4-6-11-7-5-8/h4-7H,1-3H3,(H,11,12,13)
Key Properties
Melting Point
133-135 °C @ Solvent: Dichloromethane, Hexane
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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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 |
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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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.23 g/mol | CAS Common Chemistry |
| 178.235 g/mol | RDKit | |
| 178.110613068 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CN=CC1)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2O/c1-10(2,3)9(13)12-8-4-6-11-7-5-8/h4-7H,1-3H3,(H,11,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=JCMMVFHXRDNILC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 133-135 °C @ Solvent: Dichloromethane, Hexane | CAS Common Chemistry |
| Name | N-(Pyridin-4-yl)pivalamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 45.22 Ų | RDKit |
| LogP | 1.4881 | RDKit |
| Molar Refractivity | 50.81770000000003 | RDKit |
