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Molecule
N-(Pyridin-4-Yl)Pivalamide
CAS: 70298-89-4 · C10H14N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 70298-89-4
- Molecular Formula
- C10H14N2O
- Molecular Mass
- 178.23 g/mol
Identifiers
CAS Registry Number
70298-89-4
SMILES
CC(C)(C)C(=O)N=c1cc[nH]cc1
InChI Key
JCMMVFHXRDNILC-UHFFFAOYSA-N
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)
Names and Synonyms
- N-(Pyridin-4-Yl)Pivalamide Common Name
- Propanamide, 2,2-dimethyl-N-4-pyridinyl- Synonym
- 2,2-Dimethyl-N-4-pyridinylpropanamide Synonym
- 4-(tert-Butylcarbonylamino)pyridine Synonym
- 2,2-Dimethyl-N-(4-pyridinyl)propanamide Synonym
- NSC 206407 Synonym
- 4-(Pivaloylamino)pyridine Synonym
- N-(Pyridin-4-yl)pivalamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 178.23 g/mol | CAS Common Chemistry |
| 178.235 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 |
| 41.43 Ų | chempirical lib | |
| LogP | 1.4881 | RDKit |
| 1.58 | chempirical lib | |
| Molar Refractivity | 50.81770000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 178.110613068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| 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.
External Resources
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MW = 178.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H14N2O.
