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Molecule
Perampanel
CAS: 380917-97-5 · C23H15N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 380917-97-5
- Molecular Formula
- C23H15N3O
- Molecular Mass
- 349.39 g/mol
Identifiers
CAS Registry Number
380917-97-5
SMILES
N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O
InChI Key
PRMWGUBFXWROHD-UHFFFAOYSA-N
InChI
InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H
Names and Synonyms
- Perampanel Synonym
- Benzonitrile, 2-(1′,6′-dihydro-6′-oxo-1′-phenyl[2,3′-bipyridin]-5′-yl)- Synonym
- 2-(1′,6′-Dihydro-6′-oxo-1′-phenyl[2,3′-bipyridin]-5′-yl)benzonitrile Synonym
- 3-(2-Cyanophenyl)-1-phenyl-5-(2-pyridyl)-1,2-dihydropyridin-2-one Synonym
- 3-(2-Cyanophenyl)-5-(2-pyridyl)-1-phenyl-1,2-dihydropyridin-2-one Synonym
- Perampanel Synonym
- E 2007 Synonym
- ER 155055-90 Synonym
- Fycompa Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 349.39 g/mol | CAS Common Chemistry |
| 349.3930000000001 g/mol | RDKit | |
| 349.393 g/mol | RDKit | |
| Canonical SMILES | N#CC=1C=CC=CC1C2=CC(=CN(C=3C=CC=CC3)C2=O)C=4N=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H | CAS Common Chemistry |
| InChI Key | InChIKey=PRMWGUBFXWROHD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Perampanel | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| 3 | RDKit | |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 58.68 Ų | RDKit |
| 53.43 Ų | chempirical lib | |
| LogP | 4.4381800000000045 | RDKit |
| 4.4382 | RDKit | |
| Molar Refractivity | 105.42100000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 349.1215121 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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.
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MW = 349.39 g/mol. Edit any field — others recompute live.
