Common name
3-(2-pyridyl)propan-1-amine
IUPAC name
3-(2-pyridyl)propan-1-amine
SMILES
NCCCc1ncccc1
Common name
3-(2-pyridyl)propan-1-amine
IUPAC name
3-(2-pyridyl)propan-1-amine
SMILES
NCCCc1ncccc1
INCHI
InChI=1S/C8H12N2/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4,7H,3,5-6,9H2
FORMULA
C8H12N2
Common name
3-(2-pyridyl)propan-1-amine
IUPAC name
3-(2-pyridyl)propan-1-amine
Molecular weight
136.194
clogP
1.589
clogS
-2.243
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
38.91
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00167 | Disopyramide |
|
Anti-Arrhythmia Agents; Voltage-Gated Sodium Channel Blockers; Cardiovascular System; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Antiarrhythmics, Class Ia; CYP3A4 Inhibitors; | For the treatment of documented ventricular arrhythmias, such as sustained ventricular tachycardia, ventricular pre-excitation and cardiac dysrhythmias. It is a Class Ia antiarrhythmic drug. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4qo4_ligand_2_11.mol2 | 4qo4 | 0.843137 | -6.06 | C(C)Cc1ccccn1 | 9 |
| 4qo4_ligand_1_6.mol2 | 4qo4 | 0.826923 | -5.88 | c1(ccccn1)C1CC1 | 9 |
| 4qo4_ligand_2_17.mol2 | 4qo4 | 0.767857 | -6.14 | c1(cccc(n1)C)C1CC1 | 10 |
| 4jps_ligand_1_0.mol2 | 4jps | 0.705882 | -6.43 | C(C)(C)c1ncccc1 | 9 |
| 4ya8_ligand_1_13.mol2 | 4ya8 | 0.705882 | -6.40 | c1(ncccc1)C(C)C | 9 |
| 3frz_ligand_1_6.mol2 | 3frz | 0.705882 | -6.19 | C(C)c1ncccc1 | 8 |
133 ,
14
