Common name
5-ethyl-2-methyl-pyridine
IUPAC name
5-ethyl-2-methyl-pyridine
SMILES
Cc1ncc(cc1)CC
Common name
5-ethyl-2-methyl-pyridine
IUPAC name
5-ethyl-2-methyl-pyridine
SMILES
Cc1ncc(cc1)CC
INCHI
InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3
FORMULA
C8H11N
Common name
5-ethyl-2-methyl-pyridine
IUPAC name
5-ethyl-2-methyl-pyridine
Molecular weight
121.180
clogP
2.599
clogS
-2.702
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
12.89
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00981 | Pioglitazone |
|
Hypoglycemic Agents; Drugs Used in Diabetes; Alimentary Tract and Metabolism; Thiazolidinediones; Blood Glucose Lowering Drugs, Excl. Insulins; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | Treatment of Type II diabetes mellitus. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4k5y_ligand_frag_2.mol2 | 4k5y | 0.777778 | -6.76 | c1(ccc(nc1)C)C | 8 |
| 5aes_ligand_2_3.mol2 | 5aes | 0.762712 | -6.61 | C(c1cnc(c(c1)O)C)C | 10 |
160 ,
17
