Common name
N-(2,4-difluorophenyl)pyridine-3-carboxamide
IUPAC name
N-(2,4-difluorophenyl)pyridine-3-carboxamide
SMILES
c1(c(cc(cc1)F)F)NC(=O)c1cnccc1
Common name
N-(2,4-difluorophenyl)pyridine-3-carboxamide
IUPAC name
N-(2,4-difluorophenyl)pyridine-3-carboxamide
SMILES
c1(c(cc(cc1)F)F)NC(=O)c1cnccc1
INCHI
InChI=1S/C12H8F2N2O/c13-9-3-4-11(10(14)6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)
FORMULA
C12H8F2N2O
Common name
N-(2,4-difluorophenyl)pyridine-3-carboxamide
IUPAC name
N-(2,4-difluorophenyl)pyridine-3-carboxamide
Molecular weight
234.202
clogP
2.878
clogS
-4.049
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
41.99
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02386 | diflufenican |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2p2i_ligand_2_2.mol2 | 2p2i | 0.825 | -8.17 | c1cc(ccc1)NC(=O)c1cccnc1 | 15 |
| 4eh6_ligand.mol2 | 4eh6 | 0.825 | -7.94 | c1ccccc1NC(=O)c1cccnc1 | 16 |
| 2p2i_ligand_4_16.mol2 | 2p2i | 0.697917 | -8.49 | c1cc(ccc1)NC(=O)c1cccnc1NC | 17 |
| 5em6_ligand_1_0.mol2 | 5em6 | 0.694737 | -7.71 | N(C(=O)c1ccc[nH]c1=O)c1ccccc1 | 16 |
| 5em7_ligand_1_0.mol2 | 5em7 | 0.694737 | -7.64 | N(C(=O)c1ccc[nH]c1=O)c1ccccc1 | 16 |
| 5em8_ligand_1_0.mol2 | 5em8 | 0.694737 | -7.48 | c1(ccccc1)NC(=O)c1ccc[nH]c1=O | 16 |
| 5em5_ligand_1_0.mol2 | 5em5 | 0.694737 | -7.41 | c1(ccccc1)NC(=O)c1ccc[nH]c1=O | 16 |
| 3ftv_ligand.mol2 | 3ftv | 0.65 | -8.17 | n1cc(ccc1)CNc1ccccc1 | 15 |
100 ,
11
