Common name
N-phenylpyridin-2-amine
IUPAC name
N-phenylpyridin-2-amine
SMILES
c1(ccccc1)Nc2ncccc2
Common name
N-phenylpyridin-2-amine
IUPAC name
N-phenylpyridin-2-amine
SMILES
c1(ccccc1)Nc2ncccc2
INCHI
InChI=1S/C11H10N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11/h1-9H,(H,12,13)
FORMULA
C11H10N2
Common name
N-phenylpyridin-2-amine
IUPAC name
N-phenylpyridin-2-amine
Molecular weight
170.210
clogP
2.243
clogS
-3.225
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
24.92
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01783 | Morniflumate |
|
Musculo-Skeletal System; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; | |
| FDBD01792 | Talniflumate |
|
; | For the treatment of cystic fibrosis. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4bo3_ligand_2_5.mol2 | 4bo3 | 1 | -7.71 | c1(ccccn1)Nc1ccccc1 | 13 |
| 2wot_ligand_2_7.mol2 | 2wot | 1 | -7.63 | c1cc(ccc1)Nc1ccccn1 | 13 |
| 2wou_ligand_2_7.mol2 | 2wou | 1 | -7.61 | N(c1ncccc1)c1ccccc1 | 13 |
| 4op3_ligand_2_0.mol2 | 4op3 | 1 | -7.29 | c1ccccc1Nc1ncccc1 | 13 |
| 2p2h_ligand_2_27.mol2 | 2p2h | 1 | -7.28 | c1(ccccc1)Nc1ccccn1 | 13 |
| 4f4p_ligand_2_7.mol2 | 4f4p | 0.854167 | -7.28 | N(c1ccccn1)c1ncccc1 | 13 |
| 2exc_ligand_2_6.mol2 | 2exc | 0.846154 | -7.64 | c1cc(ncc1)Nc1ccc(cc1)F | 14 |
| 2r9s_ligand_1_3.mol2 | 2r9s | 0.814815 | -8.28 | c1([nH+]cccc1)Nc1cccc2[nH+]cccc12 | 17 |
| 2wot_ligand_3_21.mol2 | 2wot | 0.814815 | -7.57 | c1cc(ccc1)Nc1cc(ccn1)O | 14 |
| 2wou_ligand_3_6.mol2 | 2wou | 0.814815 | -7.57 | Oc1ccnc(Nc2ccccc2)c1 | 14 |
101 ,
11
