IUPAC name
(1E)-N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitro-1,1-ethenediamine
SMILES
CCN(Cc1ccc(Cl)nc1)/C(=C/N(=O)=O)/NC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
nitenpyram
IUPAC name
(1E)-N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitro-1,1-ethenediamine
SMILES
CCN(Cc1ccc(Cl)nc1)/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+
FORMULA
C11H15ClN4O2
Common name
nitenpyram
IUPAC name
(1E)-N-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-N'-methyl-2-nitro-1,1-ethenediamine
Molecular weight
270.715
clogP
0.009
clogS
-3.109
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
62.3
Number of Rings
1
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF01314 | 1-nitroethylene |
|
O=N(=O)C=C | 0.0010 |
| FDBF04510 | 2-chloro-5-methylpyridine |
|
c1(cnc(cc1)Cl)C | 0.0024 |
| FDBF04514 | 2-chloropyridine |
|
c1cnc(cc1)Cl | 0.0034 |
| FDBF05064 | (6-chloropyridin-3-yl)methanamine |
|
NCc1ccc(nc1)Cl | 0.0007 |
| FDBF05285 | (Z)-N-methyl-2-nitroethenamine |
|
C(=C\N(=O)=O)\NC | 0.0003 |
| FDBF05286 | N-[(E)-2-nitroethenyl]ethanamine |
|
C(=C\N(=O)=O)/NCC | 0.0003 |
| FDBF05287 | (E)-N-methyl-2-nitroethenamine |
|
C(=C\N(=O)=O)/NC | 0.0003 |
| FDBF05288 | N-[(6-chloropyridin-3-yl)methyl]ethanamine |
|
C(c1cnc(cc1)Cl)NCC | 0.0003 |
10 ,
2
