IUPAC name
ethyl N-(2-amino-6-{[(4-fluorophenyl)methyl]amino}pyridin-3-yl)carbamate
SMILES
CCOC(=O)NC1=C(N)N=C(NCC2=CC=C(F)C=C2)C=C1
Compound class
Analgesics; Nervous System;
Therapeutic area
Investigated for use/treatment in fibromyalgia.
Common name
Flupirtine
IUPAC name
ethyl N-(2-amino-6-{[(4-fluorophenyl)methyl]amino}pyridin-3-yl)carbamate
SMILES
CCOC(=O)NC1=C(N)N=C(NCC2=CC=C(F)C=C2)C=C1
INCHI
InChI=1S/C15H17FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20)
FORMULA
C15H17FN4O2
Common name
Flupirtine
IUPAC name
ethyl N-(2-amino-6-{[(4-fluorophenyl)methyl]amino}pyridin-3-yl)carbamate
Molecular weight
304.319
clogP
1.743
clogS
-4.531
HBond Acceptor
3
HBond Donor
4
Total Polar Surface Area
89.27
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00378 | fluorobenzene |
|
Fc1ccccc1 | 0.0237 |
| FDBF00906 | ethyl carbamate |
|
CCOC(=O)N | 0.0055 |
| FDBF01444 | 1-fluoro-4-methyl-benzene |
|
Cc1ccc(cc1)F | 0.0038 |
| FDBF01793 | pyridin-2-amine |
|
Nc1ncccc1 | 0.0031 |
| FDBF03277 | (4-fluorophenyl)methanamine |
|
Fc1ccc(cc1)CN | 0.0007 |
| FDBF03516 | N2-methylpyridine-2,6-diamine |
|
Nc1nc(ccc1)NC | 0.0003 |
| FDBF03517 | N6-[(4-fluorophenyl)methyl]pyridine-2,6-diamine |
|
Fc1ccc(cc1)CNc2nc(ccc2)N | 0.0003 |
7 ,
1
