Common name
(2S)-2-(2-pyridyl)butanamide
IUPAC name
(2S)-2-(2-pyridyl)butanamide
SMILES
O=C(N)C(c1ncccc1)CC
Common name
(2S)-2-(2-pyridyl)butanamide
IUPAC name
(2S)-2-(2-pyridyl)butanamide
SMILES
O=C(N)C(c1ncccc1)CC
INCHI
InChI=1S/C9H12N2O/c1-2-7(9(10)12)8-5-3-4-6-11-8/h3-7H,2H2,1H3,(H2,10,12)/t7-/m0/s1
FORMULA
C9H12N2O
Common name
(2S)-2-(2-pyridyl)butanamide
IUPAC name
(2S)-2-(2-pyridyl)butanamide
Molecular weight
164.204
clogP
1.295
clogS
-1.840
Frequency
0.0003
HBond Acceptor
2
HBond Donor
2
Total PolarSurface Area
55.98
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 |
|---|---|---|---|---|---|
| 2bxt_ligand_3_55.mol2 | 2bxt | 0.703125 | -6.02 | c1c(nccc1)CC[NH3+] | 9 |
| 2bvx_ligand_3_55.mol2 | 2bvx | 0.703125 | -5.87 | c1c(nccc1)CC[NH3+] | 9 |
| 4qo4_ligand_2_11.mol2 | 4qo4 | 0.671875 | -6.06 | C(C)Cc1ccccn1 | 9 |
| 4qo4_ligand_1_6.mol2 | 4qo4 | 0.661538 | -5.88 | c1(ccccn1)C1CC1 | 9 |
| 4qo4_ligand_2_17.mol2 | 4qo4 | 0.623188 | -6.14 | c1(cccc(n1)C)C1CC1 | 10 |
| 2bxu_ligand_3_0.mol2 | 2bxu | 0.584416 | -6.18 | C(F)(F)(c1ncccc1)C[NH3+] | 11 |
| 1mu6_ligand_3_0.mol2 | 1mu6 | 0.584416 | -6.09 | [NH3+]CC(F)(F)c1ncccc1 | 11 |
| 1mu8_ligand_3_0.mol2 | 1mu8 | 0.584416 | -6.07 | C(F)(F)(c1ncccc1)C[NH3+] | 11 |
100 ,
11
