Common name
N-[[(2R)-pyrrolidin-2-yl]methyl]formamide
IUPAC name
N-[[(2R)-pyrrolidin-2-yl]methyl]formamide
SMILES
C(C1NCCC1)NC=O
Common name
N-[[(2R)-pyrrolidin-2-yl]methyl]formamide
IUPAC name
N-[[(2R)-pyrrolidin-2-yl]methyl]formamide
SMILES
C(C1NCCC1)NC=O
INCHI
InChI=1S/C6H12N2O/c9-5-7-4-6-2-1-3-8-6/h5-6,8H,1-4H2,(H,7,9)/t6-/m1/s1
FORMULA
C6H12N2O
Common name
N-[[(2R)-pyrrolidin-2-yl]methyl]formamide
IUPAC name
N-[[(2R)-pyrrolidin-2-yl]methyl]formamide
Molecular weight
128.172
clogP
0.469
clogS
-1.176
Frequency
0.0003
HBond Acceptor
1
HBond Donor
2
Total PolarSurface Area
41.13
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01405 | Amisulpride |
|
Antipsychotic Agents; Dopamine Antagonists; Nervous System; Psycholeptics; Benzamides; | Investigated for use/treatment in schizophrenia and schizoaffective disorders, mania in bipolar disorder, and depression. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o0d_ligand_2_7.mol2 | 1o0d | 1 | -6.14 | C1[N@H+]([C@H](CC1)CNC=O)C | 10 |
| 4mds_ligand_2_10.mol2 | 4mds | 1 | -5.72 | O=CNC[C@H]1CCC[N@@H+]1C | 10 |
| 2bub_ligand_2_18.mol2 | 2bub | 1 | -5.56 | O=CN1[C@@H](CCC1)CNC=O | 11 |
| 1bmm_ligand_4_175.mol2 | 1bmm | 0.941176 | -6.48 | CC(=O)N1CCC[C@H]1CNC(=O)C | 13 |
100 ,
11
