Common name
(3R)-2-oxo-N-phenyl-3H-pyridine-3-carboxamide
IUPAC name
(3R)-2-oxo-N-phenyl-3H-pyridine-3-carboxamide
SMILES
[C@H]1(C(=O)N=CC=C1)C(=O)Nc1ccccc1
Common name
(3R)-2-oxo-N-phenyl-3H-pyridine-3-carboxamide
IUPAC name
(3R)-2-oxo-N-phenyl-3H-pyridine-3-carboxamide
SMILES
[C@H]1(C(=O)N=CC=C1)C(=O)Nc1ccccc1
INCHI
InChI=1S/C12H10N2O2/c15-11-10(7-4-8-13-11)12(16)14-9-5-2-1-3-6-9/h1-8,10H,(H,14,16)
FORMULA
C12H10N2O2
Common name
(3R)-2-oxo-N-phenyl-3H-pyridine-3-carboxamide
IUPAC name
(3R)-2-oxo-N-phenyl-3H-pyridine-3-carboxamide
Molecular weight
214.220
clogP
1.717
clogS
-2.040
Frequency
0.0003
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
58.53
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02391 | flufenican |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f82_ligand_1_1.mol2 | 3f82 | 0.916667 | -7.87 | c1ccc(cc1NC(=O)[C@@H]1C(=O)N=CC=C1)F | 17 |
| 2oj9_ligand_2_0.mol2 | 2oj9 | 0.672269 | -6.34 | CNC1=CC=NC(=O)C1 | 9 |
| 4k5y_ligand_3_18.mol2 | 4k5y | 0.656 | -6.82 | CNC1=CC(=NC(=O)[C@H]1C)C | 11 |
| 4b00_ligand_frag_1.mol2 | 4b00 | 0.645455 | -6.29 | N1=CC=C[C@@H](C1=O)C | 8 |
| 2oj9_ligand_1_0.mol2 | 2oj9 | 0.62931 | -6.23 | C1(=O)N=CC=C(C1)N | 8 |
| 4b0b_ligand_1_0.mol2 | 4b0b | 0.627273 | -6.37 | N1=CC=CCC1=O | 7 |
| 2oj9_ligand_frag_0.mol2 | 2oj9 | 0.627273 | -6.31 | C1(=O)N=CC=CC1 | 7 |
| 2vwl_ligand_frag_1.mol2 | 2vwl | 0.627273 | -6.12 | N1=CC=CCC1=O | 7 |
| 2w3k_ligand_frag_5.mol2 | 2w3k | 0.627273 | -6.10 | N1=CC=CCC1=O | 7 |
| 4mib_ligand_frag_6.mol2 | 4mib | 0.627273 | -6.10 | C1C(=O)N=CC=C1 | 7 |
100 ,
11
