Common name
N-(4-pyridylmethyl)acetamide
IUPAC name
N-(4-pyridylmethyl)acetamide
SMILES
n1ccc(cc1)CNC(=O)C
Common name
N-(4-pyridylmethyl)acetamide
IUPAC name
N-(4-pyridylmethyl)acetamide
SMILES
n1ccc(cc1)CNC(=O)C
INCHI
InChI=1S/C8H10N2O/c1-7(11)10-6-8-2-4-9-5-3-8/h2-5H,6H2,1H3,(H,10,11)
FORMULA
C8H10N2O
Common name
N-(4-pyridylmethyl)acetamide
IUPAC name
N-(4-pyridylmethyl)acetamide
Molecular weight
150.178
clogP
1.191
clogS
-2.193
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
41.99
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00671 | Tropicamide |
|
Muscarinic Antagonists; Mydriatics; Diagnostic Agents; Ophthalmologicals; Sensory Organs; Anticholinergics; Mydriatics and Cycloplegics; | Indicated to induce mydriasis (dilation of the pupil) and cycloplegia (paralysis of the ciliary muscle of the eye) in diagnostic procedures, such as measurement of refractive errors and examination of the fundus of the eye. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yig_ligand_2_20.mol2 | 2yig | 0.904762 | -5.78 | c1(ccncc1)CNC=O | 10 |
| 2oah_ligand_3_65.mol2 | 2oah | 0.869565 | -6.62 | C(=O)(NCC)c1ccncc1 | 11 |
| 1au2_ligand_3_217.mol2 | 1au2 | 0.869565 | -6.14 | C(NC(=O)c1ccncc1)C | 11 |
| 4cj4_ligand_3_14.mol2 | 4cj4 | 0.869565 | -5.56 | c1cnccc1C(=O)NCC | 11 |
| 2yig_ligand_3_34.mol2 | 2yig | 0.792453 | -7.37 | c1(ccncc1)CNC(=O)c1ccccc1 | 16 |
| 4cj4_ligand_5_13.mol2 | 4cj4 | 0.784314 | -5.89 | c1cnccc1C(=O)NCC(C)C | 13 |
| 4cj4_ligand_4_15.mol2 | 4cj4 | 0.784314 | -5.69 | c1cnccc1C(=O)NCCC | 12 |
| 4cj4_ligand_4_19.mol2 | 4cj4 | 0.784314 | -5.65 | c1cnccc1C(=O)NCCC | 12 |
106 ,
11
