Common name
N-propylimidazole-1-carboxamide
IUPAC name
N-propylimidazole-1-carboxamide
SMILES
C(CC)NC(=O)N1C=NC=C1
Common name
N-propylimidazole-1-carboxamide
IUPAC name
N-propylimidazole-1-carboxamide
SMILES
C(CC)NC(=O)N1C=NC=C1
INCHI
InChI=1S/C7H11N3O/c1-2-3-9-7(11)10-5-4-8-6-10/h4-6H,2-3H2,1H3,(H,9,11)/p+1
FORMULA
C7H11N3O
Common name
N-propylimidazole-1-carboxamide
IUPAC name
N-propylimidazole-1-carboxamide
Molecular weight
153.182
clogP
0.024
clogS
-1.136
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
46.92
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02923 | pefurazoate |
|
Fungicide | Fungicide |
| FDBD03046 | prochloraz |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5akl_ligand_3_9.mol2 | 5akl | 0.5 | -7.22 | C(C)CNC(=O)n1cccc1 | 11 |
| 5akl_ligand_2_8.mol2 | 5akl | 0.424242 | -7.01 | CCNC(=O)n1cccc1 | 10 |
| 3cd0_ligand_2_15.mol2 | 3cd0 | 0.402597 | -6.30 | [nH]1cc[n+](c1C(=O)NC)C(C)C | 12 |
| 4kn7_ligand_4_209.mol2 | 4kn7 | 0.4 | -5.11 | [nH]1cc[n+](c1)CC[N@@H+]1CC[N@@H+](C)CC1 | 14 |
| 4n9e_ligand_2_4.mol2 | 4n9e | 0.395349 | -7.62 | C(=O)N1CCC(CC1)C[n+]1c[nH]c2c1cccc2 | 18 |
| 5akl_ligand.mol2 | 5akl | 0.393258 | -10.09 | c1ccc(cc1)C(c1ccccc1)CCNC(=O)n1cccc1 | 24 |
| 3ggv_ligand_4_2857.mol2 | 3ggv | 0.385542 | -5.69 | N(C(=O)Cn1cc[nH]c1=O)CC | 12 |
| 1yt9_ligand_5_212.mol2 | 1yt9 | 0.383721 | -5.82 | C(C(=O)NCC)n1ccn(c1=O)C | 13 |
| 3ggv_ligand_5_8338.mol2 | 3ggv | 0.383721 | -5.77 | N(C(=O)Cn1ccn(c1=O)C)CC | 13 |
151 ,
16
