Cyantraniliprole
| PubChem CID | 11578610 |
| Molecular Formula | C19H14BrClN6O2 |
| Structure |
|
| Synonyms |
Cyantraniliprole
736994-63-1 Cyazypyr Cyantraniliprole [ISO] LO6K6H48FD 3-bromo-1-(3-chloropyridin-2-yl)-n-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]-1h-pyrazole-5-carboxamide 3-Bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[(methylamino)carbonyl]phenyl]-1H-pyrazole-5-carboxamide 1H-Pyrazole-5-carboxamide, 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-((methylamino)carbonyl)phenyl)- 1H-Pyrazole-5-carboxamide,3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[(methylamino)carbonyl]phenyl]- 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4-cyano-2-methyl-6-((methylamino)carbonyl)phenyl)-1H-pyrazole-5-carboxamide 3-bromo-1-(3-chloro-2-pyridyl)-4'-cyano-2'-methyl-6'-(methylcarbamoyl)pyrazole-5-carboxanilide 3-bromo-1-(3-chloropyridin-2-yl)-n-(4-cyano-2-methyl-6-(methylcarbamoyl)phenyl)-1h-pyrazole-5-carboxamide C19H14BrClN6O2 UNII-LO6K6H48FD DPX-HGW 86 Zyrox Cyantraniliprole? 1H-Pyrazole-5-carboxamide, 3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[(methylamino)carbonyl]phenyl]- BENEVIA EXIREL (INSECTICIDE) CYANTRANILIPROLE [MI] 5-bromo-2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide SCHEMBL166640 CHEMBL2286761 DTXSID2058174 CHEBI:132300 BCP24173 EX-A1458 BDBM50488570 MFCD28053506 AKOS027322013 SYN-545377 NCGC00485938-01 1ST20489 DA-72457 HY-12779 MS-28788 NS00040712 Cyantraniliprole 100 microg/mL in Acetonitrile N10852 EN300-7492747 Cyantraniliprole, PESTANAL(R), analytical standard Q17073330 Z3244811253 3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-[(methylamino)-carbonyl]phenyl]-1H-pyrazole-5-carboxamide 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-N-(4-CYANO-2-METHYL-6-(N-METHYLCARBAMOYL)PHENYL)-1H-PYRAZOLE-5-CARBOXAMIDE |
Computed Descriptors
| IUPAC Name | 5-bromo-2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide |
| SMILES | CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N |
| Canonical SMILES | CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N |
| InChI | InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29) |
| InChIKey | DVBUIBGJRQBEDP-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 473.7 g/mol |
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 472.005 |
| Monoisotopic Mass | 472.005 |
| Topological Polar Surface Area | 113 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 672 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Annotation
17 pairs of Verified P450 and Cyantraniliprole
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Aphis gossypii | CYP380C6 | D | |
| Aphis gossypii | CYP4CJ1 | D | |
| Aphis gossypii | CYP4CK1 | R,D | |
| Aphis gossypii | CYP6CY19 | R | |
| Aphis gossypii | CYP6CY22 | R,D | |
| Aphis gossypii | CYP6CY5 | R,D | |
| Aphis gossypii | CYP6CY9 | R,D | |
| Aphis gossypii | CYP6CZ1 | R | |
| Aphis gossypii | CYP6DA1 | R,D | |
| Bemisia tabaci | CYP4G68 | R | |
| Bemisia tabaci | CYP6CX3 | R,D | |
| Spodoptera litura | CYP332A1 | R,D | |
| Spodoptera litura | CYP340A | R,D | |
| Spodoptera litura | CYP6AB12 | R,D | |
| Spodoptera litura | CYP6AB59 | R,D | |
| Spodoptera litura | CYP6AN4 | R,D | |
| Spodoptera litura | CYP9A75A | R |