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Molecule
4-(4-Aminophenoxy)-N-Methylpicolinamide
CAS: 284462-37-9 · C13H13N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 284462-37-9
- Molecular Formula
- C13H13N3O2
- Molecular Mass
- 243.27 g/mol
Identifiers
CAS Registry Number
284462-37-9
SMILES
CNC(=O)c1cc(Oc2ccc(N)cc2)ccn1
InChI Key
RXZZBPYPZLAEFC-UHFFFAOYSA-N
InChI
InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17)
Names and Synonyms
- 4-(4-Aminophenoxy)-N-Methylpicolinamide Systematic Name
- 2-Pyridinecarboxamide, 4-(4-aminophenoxy)-N-methyl- Synonym
- 4-(4-Aminophenoxy)-N-methyl-2-pyridinecarboxamide Synonym
- 4-[[2-(N-Methylcarbamoyl)-4-pyridyl]oxy]aniline Synonym
- 4-[[2-(Methylcarbamoyl)pyridin-4-yl]oxy]aniline Synonym
- 4-[2-(N-Methylcarbamyl)-4-pyridyloxy]aniline Synonym
- 4-[[2-(N-Methylcarbamoyl)pyridin-4-yl]oxy]aniline Synonym
- 4-(4-Aminophenoxy)-N-methylpyridine-2-carboxamide Synonym
- N-Methyl-4-(4-aminophenoxy)pyridine-2-carboxamide Synonym
- 4-(4-Aminophenoxy)-N-methylpicolinamide Synonym
- 4-(4-Aminophenoxy)pyridine-2-carboxylic acid methylamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 243.27 g/mol | CAS Common Chemistry |
| 243.26600000000002 g/mol | RDKit | |
| 243.266 g/mol | RDKit | |
| Canonical SMILES | O=C(NC)C1=NC=CC(OC2=CC=C(N)C=C2)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17) | CAS Common Chemistry |
| InChI Key | InChIKey=RXZZBPYPZLAEFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-(4-Aminophenoxy)-N-methylpicolinamide | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 77.24 Ų | RDKit |
| 76.71 Ų | chempirical lib | |
| LogP | 1.8156999999999999 | RDKit |
| 1.8157 | RDKit | |
| Molar Refractivity | 68.55560000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 243.100776656 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 243.27 g/mol. Edit any field — others recompute live.
