Nitenpyram
| PubChem CID | 3034287 |
| Molecular Formula | C11H15ClN4O2 |
| Structure |
|
| Synonyms |
Nitenpyram
150824-47-8 (E)-Nitenpyram 120738-89-8 Niterndipoine Bestguard Capstar (E)-N-((6-Chloropyridin-3-yl)methyl)-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine Nitenpyram [ISO] TI 304 CHEBI:39170 UNII-3A837VZ81Y (1E)-N-((6-chloro-3-pyridinyl)methyl)-N-ethyl-N'-methyl-2-nitro-1,1-ethenediamine DTXSID8041080 3A837VZ81Y N-((6-Chloropyridin-3-yl)methyl)-N-ethyl-N-methyl-2-nitroethene-1,1-diamine DTXCID6021080 CHEBI:39171 HSDB 8491 (e)-n-(6-chloro-3-pyridylmethyl)-n-ethyl-n'-methyl-2-nitrovinylidenediamine N-((6-chloropyridin-3-yl)methyl)-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine (E)-1-N'-[(6-chloropyridin-3-yl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine (E)-N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine NCGC00166149-01 (E)-N-(6-Chloro-3-pyridylmethyl)-N-ethyl-N2-methyl-2-nitrovinylidenediamine 1,1-Ethenediamine, N-((6-chloro-3-pyridinyl)methyl)-N-ethyl-N'-methyl-2-nitro-, (1E)- 1,1-Ethenediamine, N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitro-, (1E)- (1E)-N-((6-Chloro-3-pyridinyl)methyl]-N-ethyl-N2-methyl-2-nitro-1,1-ethenediamine (1E)-N-[(6-Chloro-3-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitro-1,1-ethenediamine CAS-150824-47-8 DTXSID3058292 Nitenpyram? E-Nitenpyram (1E)-N-((6-Chloro-3-pyridinyl)methyl)-N-ethyl-N2-methyl-2-nitro-1,1-ethenediamine N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine CAPACTION NITENPYRAM [MI] PETARMOR CAPACTION SCHEMBL25788 SCHEMBL25789 CHEMBL259728 NITENPYRAM [GREEN BOOK] DTXCID40819956 HMS3885B06 HY-B0820 Tox21_112342 BDBM50486236 MFCD01631161 AKOS015914907 Tox21_112342_1 CCG-267169 DB11438 KS-5369 (E)-N-(6-Chloro-3-pyridylmethyl)-N-ethyl-N'-methyl-2-nitroethylene-1,1-diamine NCGC00166149-02 Nitenpyram 10 microg/mL in Acetonitrile 1ST20301 CS-0012837 NS00000174 S4422 Nitenpyram, PESTANAL(R), analytical standard C18511 A804578 A809078 Q-201476 Q3817186 BRD-K47887731-001-01-4 Q27119765 (E)-N-((6-chloropyridin-3-yl)methyl)-N-ethyl-N-methyl-2-nitroethene-1,1-diamine [(E)-1-{[(6-chloropyridin-3-yl)methyl](ethyl)amino}-2-nitroethenyl](methyl)amine 1,1-Ethenediamine, N-((6-chloro-3-pyridinyl)methyl)-N-ethyl-N-methyl-2-nitro- n-[(6-chloro-3-pyridinyl)methyl]-n-ethyl-n'-methyl-2-nitro-1,1-ethenediamine |
Computed Descriptors
| IUPAC Name | (E)-1-N'-[(6-chloropyridin-3-yl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine |
| SMILES | CCN(CC1=CN=C(C=C1)Cl)/C(=C/[N+](=O)[O-])/NC |
| Canonical SMILES | CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])NC |
| InChI | InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+ |
| InChIKey | CFRPSFYHXJZSBI-DHZHZOJOSA-N |
Computed Properties
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| Molecular Weight | 270.71 g/mol |
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 270.088 |
| Monoisotopic Mass | 270.088 |
| Topological Polar Surface Area | 74 |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 306 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
Annotation
11 pairs of Verified P450 and Nitenpyram
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Aphis gossypii | CYP6CY13 | X | |
| Aphis gossypii | CYP6CY22 | X | |
| Drosophila melanogaster | CYP12A5 | R | |
| Drosophila melanogaster | CYP6G1 | D | |
| Drosophila melanogaster | CYP6G2 | D | |
| Nilaparvata lugens | CYP408A1 | R | |
| Nilaparvata lugens | CYP4CE1 | R | |
| Nilaparvata lugens | CYP6CS1 | R | |
| Nilaparvata lugens | CYP6ER1 | R | |
| Nilaparvata lugens | CYP6ER1 | E | |
| Nilaparvata lugens | CYP6ER1VA | D |