Common name
N-methyl-N-(2-pyridyl)formamide
IUPAC name
N-methyl-N-(2-pyridyl)formamide
SMILES
c1(ccccn1)N(C=O)C
Common name
N-methyl-N-(2-pyridyl)formamide
IUPAC name
N-methyl-N-(2-pyridyl)formamide
SMILES
c1(ccccn1)N(C=O)C
INCHI
InChI=1S/C7H8N2O/c1-9(6-10)7-4-2-3-5-8-7/h2-6H,1H3
FORMULA
C7H8N2O
Common name
N-methyl-N-(2-pyridyl)formamide
IUPAC name
N-methyl-N-(2-pyridyl)formamide
Molecular weight
136.151
clogP
0.581
clogS
-1.060
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
33.2
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01435 | Dabigatran etexilate |
|
Antithrombins; Direct Thrombin Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; | Dabigatran is indicated for the prevention of venous thromboembolic events in patients who have undergone elective hip or knee replacement surgery (based on RE-NOVATE, RE-MODEL, and RE-MOBILIZE trials). In 2010, it was approved in the US and Canada for prevention of stroke and systemic embolism in patients with atrial fibrillation (approval based on the RE-LY trial). Contraindications: severe renal impairment (CrCL . |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gih_ligand_1_2.mol2 | 4gih | 1 | -6.62 | c1ccnc(c1)NC=O | 9 |
| 4gj2_ligand_1_2.mol2 | 4gj2 | 1 | -6.61 | N(C=O)c1ncccc1 | 9 |
| 4ptg_ligand_1_3.mol2 | 4ptg | 1 | -6.61 | N(C=O)c1ncccc1 | 9 |
| 2exc_ligand_1_2.mol2 | 2exc | 1 | -6.60 | c1cc(ncc1)NC=O | 9 |
| 4gii_ligand_1_0.mol2 | 4gii | 1 | -6.60 | c1(ccccn1)NC=O | 9 |
| 4gmy_ligand_1_2.mol2 | 4gmy | 1 | -6.59 | c1ccnc(c1)NC=O | 9 |
| 4gj3_ligand_1_0.mol2 | 4gj3 | 1 | -6.55 | N(C=O)c1ncccc1 | 9 |
| 4pte_ligand_1_1.mol2 | 4pte | 1 | -6.53 | c1ccnc(c1)NC=O | 9 |
| 4ptc_ligand_1_1.mol2 | 4ptc | 1 | -6.24 | N(C=O)c1ncccc1 | 9 |
| 2w3i_ligand_1_3.mol2 | 2w3i | 1 | -6.06 | C(=O)Nc1ccccn1 | 9 |
172 ,
18
