Common name
3-(1-methylimidazol-4-yl)pyridine
IUPAC name
3-(1-methylimidazol-4-yl)pyridine
SMILES
n1(cc(nc1)c2cnccc2)C
Common name
3-(1-methylimidazol-4-yl)pyridine
IUPAC name
3-(1-methylimidazol-4-yl)pyridine
SMILES
n1(cc(nc1)c2cnccc2)C
INCHI
InChI=1S/C9H9N3/c1-12-6-9(11-7-12)8-3-2-4-10-5-8/h2-7H,1H3
FORMULA
C9H9N3
Common name
3-(1-methylimidazol-4-yl)pyridine
IUPAC name
3-(1-methylimidazol-4-yl)pyridine
Molecular weight
160.196
clogP
0.348
clogS
-2.025
Frequency
0.0003
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
32.56
Number of Rings
2
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00830 | Telithromycin |
|
Anti-Bacterial Agents; Ketolides; Macrolides; Antibacterials for Systemic Use; Antiinfectives for Systemic Use; Macrolides, Lincosamides and Streptogramins; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; | For the treatment of . |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4yl3_ligand_1_2.mol2 | 4yl3 | 0.688889 | -6.37 | c1[nH+]c(c(Br)[nH]1)c1cccnc1 | 12 |
| 1ouk_ligand_1_4.mol2 | 1ouk | 0.658228 | -6.83 | c1c([nH]c[n+]1C)c1ccccc1 | 12 |
| 4xua_ligand_2_7.mol2 | 4xua | 0.658228 | -6.83 | c1(ccccc1)c1[nH]c[n+](C)c1 | 12 |
| 1iep_ligand_1_0.mol2 | 1iep | 0.643678 | -7.31 | c1(ccncn1)c1cccnc1 | 12 |
| 3gvu_ligand_1_0.mol2 | 3gvu | 0.643678 | -7.31 | c1(ccncn1)c1cccnc1 | 12 |
| 2hyy_ligand_1_0.mol2 | 2hyy | 0.643678 | -7.29 | c1cc(cnc1)c1ccncn1 | 12 |
| 1t46_ligand_1_0.mol2 | 1t46 | 0.643678 | -7.24 | c1(ccncn1)c1cccnc1 | 12 |
| 4bkj_ligand_1_0.mol2 | 4bkj | 0.643678 | -7.05 | c1(ccncn1)c1cccnc1 | 12 |
105 ,
11
