Back to Search
(4S)-4-(4-Cyano-2-Methoxyphenyl)-5-Ethoxy-1,4-Dihydro-2,8-Dimethyl-1,6-Naphthyridine-3-Carboxamide
CAS: 1050477-31-0 | C21H22N4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1050477-31-0
Molecular Formula:
C21H22N4O3
Molecular Mass:
378.43 g/mol
Names and Synonyms:
(4S)-4-(4-Cyano-2-Methoxyphenyl)-5-Ethoxy-1,4-Dihydro-2,8-Dimethyl-1,6-Naphthyridine-3-Carboxamide
1,6-Naphthyridine-3-carboxamide, 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-, (4S)-
(4S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-1,6-naphthyridine-3-carboxamide
BAY 94-8862
Finerenone
Identifiers:
SMILES:
CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(=N)O)=C(C)N2
InChI:
InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 378.43 g/mol | CAS Common Chemistry |
| 378.43200000000013 g/mol | RDKit | |
| 378.169190564 g/mol | RDKit | |
| Canonical SMILES | N#CC1=CC=C(C(OC)=C1)C2C=3C(=NC=C(C3NC(=C2C(=O)N)C)C)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BTBHLEZXCOBLCY-QGZVFWFLSA-N | CAS Common Chemistry |
| Name | (4S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-1,6-naphthyridine-3-carboxamide | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 111.25000000000001 Ų | RDKit |
| LogP | 4.035670000000001 | RDKit |
| Molar Refractivity | 106.37320000000007 | RDKit |
