Common name
tert-butyl N-(6-methylpyridin-2-yl)carbamate
IUPAC name
tert-butyl N-(6-methylpyridin-2-yl)carbamate
SMILES
c1(nc(ccc1)C)NC(=O)OC(C)(C)C
Common name
tert-butyl N-(6-methylpyridin-2-yl)carbamate
IUPAC name
tert-butyl N-(6-methylpyridin-2-yl)carbamate
SMILES
c1(nc(ccc1)C)NC(=O)OC(C)(C)C
INCHI
InChI=1S/C11H16N2O2/c1-8-6-5-7-9(12-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,12,13,14)
FORMULA
C11H16N2O2
Common name
tert-butyl N-(6-methylpyridin-2-yl)carbamate
IUPAC name
tert-butyl N-(6-methylpyridin-2-yl)carbamate
Molecular weight
208.257
clogP
1.626
clogS
-2.916
Frequency
0.0003
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
51.22
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03037 | picarbutrazox |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4n7e_ligand_1_2.mol2 | 4n7e | 0.6875 | -6.12 | O=CNc1cccc(n1)C | 10 |
| 4bdi_ligand_1_0.mol2 | 4bdi | 0.522727 | -6.89 | n1c(ccc(c1)C)NC=O | 10 |
| 4r1y_ligand_4_370.mol2 | 4r1y | 0.505747 | -7.59 | C(OC(=O)Nc1cc(C)ccc1)C | 13 |
| 4gih_ligand_1_2.mol2 | 4gih | 0.5 | -6.62 | c1ccnc(c1)NC=O | 9 |
| 4gj2_ligand_1_2.mol2 | 4gj2 | 0.5 | -6.61 | N(C=O)c1ncccc1 | 9 |
| 4ptg_ligand_1_3.mol2 | 4ptg | 0.5 | -6.61 | N(C=O)c1ncccc1 | 9 |
| 2exc_ligand_1_2.mol2 | 2exc | 0.5 | -6.60 | c1cc(ncc1)NC=O | 9 |
| 4gii_ligand_1_0.mol2 | 4gii | 0.5 | -6.60 | c1(ccccn1)NC=O | 9 |
| 4gmy_ligand_1_2.mol2 | 4gmy | 0.5 | -6.59 | c1ccnc(c1)NC=O | 9 |
101 ,
11
