Common name
N-benzylpyridin-2-amine
IUPAC name
N-benzylpyridin-2-amine
SMILES
N(c1ncccc1)Cc2ccccc2
Common name
N-benzylpyridin-2-amine
IUPAC name
N-benzylpyridin-2-amine
SMILES
N(c1ncccc1)Cc2ccccc2
INCHI
InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)
FORMULA
C12H12N2
Common name
N-benzylpyridin-2-amine
IUPAC name
N-benzylpyridin-2-amine
Molecular weight
184.237
clogP
2.563
clogS
-3.636
Frequency
0.0007
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
24.92
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00654 | Tripelennamine |
|
Anti-Allergic Agents; Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Antihistamines for Systemic Use; Substituted Ethylene Diamines; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Used for the symptomatic relief of hypersensitivity reactions, coughs, and the common cold. |
| FDBD01433 | Mepyramine |
|
Anti-Allergic Agents; Histamine H1 Antagonists; Histamine Antagonists; Respiratory System; Dermatologicals; Antipruritics, Incl. Antihistamines, Anesthetics, Etc.; Antihistamines for Topical Use; Antihistamines for Systemic Use; Substituted Ethylene Diamines; Sleep Aids, Pharmaceutical; CYP2D6 Inducers; CYP2D6 Inducers (strong); | Mepyramine is a first generation antihistamine used in treating allergies, ymptomatic relief of hypersensitivity reaction, and in pruritic skin disorders. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hvs_ligand_3_16.mol2 | 4hvs | 1 | -8.12 | c1(ccccc1)CNc1ncccc1 | 14 |
| 4hw7_ligand_3_31.mol2 | 4hw7 | 1 | -7.62 | c1cnc(cc1)NCc1ccccc1 | 14 |
| 2p2i_ligand_3_28.mol2 | 2p2i | 0.786885 | -7.78 | c1nccc(c1)CNc1ccccn1 | 14 |
| 4zxx_ligand_3_6.mol2 | 4zxx | 0.783333 | -8.12 | C(c1ccccc1)Nc1cc2ccnc(c2cc1)N | 19 |
| 4ng9_ligand_3_39.mol2 | 4ng9 | 0.783333 | -7.98 | C(Nc1cc2c(cc1)c(ncc2)N)c1ccccc1 | 19 |
| 4nga_ligand_3_29.mol2 | 4nga | 0.783333 | -7.95 | N(c1cc2c(c(ncc2)N)cc1)Cc1ccccc1 | 19 |
| 4jyu_ligand_3_1.mol2 | 4jyu | 0.783333 | -7.91 | N(c1ccc2c(c1)ccnc2N)Cc1ccccc1 | 19 |
| 4nbl_ligand_3_1.mol2 | 4nbl | 0.743243 | -7.81 | c1(ccc(cc1O)F)CNc1ncccc1 | 16 |
| 4nbk_ligand.mol2 | 4nbk | 0.733333 | -8.12 | c1nc(NCc2ccccc2O)c(C)cc1 | 17 |
| 2ohm_ligand.mol2 | 2ohm | 0.720588 | -7.15 | Nc1ncccc1NCc1ccccc1 | 16 |
103 ,
11
