Common name
(2R)-2-phenyl-2-(2-pyridyl)acetamide
IUPAC name
(2R)-2-phenyl-2-(2-pyridyl)acetamide
SMILES
O=C(N)C(c1ccccc1)c2ncccc2
Common name
(2R)-2-phenyl-2-(2-pyridyl)acetamide
IUPAC name
(2R)-2-phenyl-2-(2-pyridyl)acetamide
SMILES
O=C(N)C(c1ccccc1)c2ncccc2
INCHI
InChI=1S/C13H12N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-9,12H,(H2,14,16)/t12-/m1/s1
FORMULA
C13H12N2O
Common name
(2R)-2-phenyl-2-(2-pyridyl)acetamide
IUPAC name
(2R)-2-phenyl-2-(2-pyridyl)acetamide
Molecular weight
212.247
clogP
2.178
clogS
-2.825
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
55.98
Number of Rings
2
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 |
|---|---|---|---|---|---|
| 2bxt_ligand_3_55.mol2 | 2bxt | 0.681818 | -6.02 | c1c(nccc1)CC[NH3+] | 9 |
| 2bvx_ligand_3_55.mol2 | 2bvx | 0.681818 | -5.87 | c1c(nccc1)CC[NH3+] | 9 |
| 4k2f_ligand.mol2 | 4k2f | 0.590909 | -9.32 | Clc1ccc(cc1)[C@@H](c1cccc(n1)Cl)C#N | 18 |
| 2bxu_ligand_3_0.mol2 | 2bxu | 0.56962 | -6.18 | C(F)(F)(c1ncccc1)C[NH3+] | 11 |
| 1mu6_ligand_3_0.mol2 | 1mu6 | 0.56962 | -6.09 | [NH3+]CC(F)(F)c1ncccc1 | 11 |
| 1mu8_ligand_3_0.mol2 | 1mu8 | 0.56962 | -6.07 | C(F)(F)(c1ncccc1)C[NH3+] | 11 |
| 4jps_ligand_1_0.mol2 | 4jps | 0.545455 | -6.43 | C(C)(C)c1ncccc1 | 9 |
| 4ya8_ligand_1_13.mol2 | 4ya8 | 0.545455 | -6.40 | c1(ncccc1)C(C)C | 9 |
115 ,
12
