IUPAC name
2-(morpholin-4-yl)ethyl 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylate
SMILES
FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OCCN2CCOCC2)=CC=C1
Compound class
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products;
Therapeutic area
Common name
Morniflumate
IUPAC name
2-(morpholin-4-yl)ethyl 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylate
SMILES
FC(F)(F)C1=CC(NC2=C(C=CC=N2)C(=O)OCCN2CCOCC2)=CC=C1
INCHI
InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)
FORMULA
C19H20F3N3O3
Common name
Morniflumate
IUPAC name
2-(morpholin-4-yl)ethyl 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylate
Molecular weight
395.376
clogP
3.341
clogS
-5.031
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
63.69
Number of Rings
3
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00046 | aniline |
|
Nc1ccccc1 | 0.0247 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00484 | morpholine |
|
O1CCNCC1 | 0.0082 |
| FDBF01793 | pyridin-2-amine |
|
Nc1ncccc1 | 0.0031 |
| FDBF03151 | 3-(trifluoromethyl)aniline |
|
c1(cc(ccc1)C(F)(F)F)N | 0.0014 |
| FDBF03898 | methyl pyridine-3-carboxylate |
|
O(C(=O)c1cnccc1)C | 0.0010 |
14 ,
2
