Common name
(2S)-1-formyl-N-methyl-pyrrolidine-2-carboxamide
IUPAC name
(2S)-1-formyl-N-methyl-pyrrolidine-2-carboxamide
SMILES
CNC(=O)C1CCCN1C=O
Common name
(2S)-1-formyl-N-methyl-pyrrolidine-2-carboxamide
IUPAC name
(2S)-1-formyl-N-methyl-pyrrolidine-2-carboxamide
SMILES
CNC(=O)C1CCCN1C=O
INCHI
InChI=1S/C7H12N2O2/c1-8-7(11)6-3-2-4-9(6)5-10/h5-6H,2-4H2,1H3,(H,8,11)/t6-/m0/s1
FORMULA
C7H12N2O2
Common name
(2S)-1-formyl-N-methyl-pyrrolidine-2-carboxamide
IUPAC name
(2S)-1-formyl-N-methyl-pyrrolidine-2-carboxamide
Molecular weight
156.182
clogP
-0.108
clogS
-0.417
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
49.41
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00006 | Felypressin |
|
Vasoconstrictor Agents; Renal Agents; | For use as an alternative to adrenaline as a localising agent, provided that local ischaemia is not essential. |
| FDBD01114 | Carbetocin |
|
Oxytocics; Delayed-Action Preparations; Anti-tocolytic Agents; Labor Induction Agents; Pituitary and Hypothalamic Hormones and Analogues; Systemic Hormonal Preparations, Excl. Sex Hormones and Insulins; Posterior Pituitary Lobe Hormones; Oxytocin and Analogues; | Used to control postpartum hemorrhage and bleeding after giving birth. |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5e1m_ligand_2_18.mol2 | 5e1m | 1 | -6.43 | C(=O)N1[C@@H](CCC1)C(=O)NC | 11 |
| 2zc9_ligand_2_12.mol2 | 2zc9 | 1 | -6.42 | CNC(=O)[C@H]1N(C=O)CCC1 | 11 |
| 3aho_ligand_2_13.mol2 | 3aho | 1 | -6.41 | CNC(=O)[C@H]1N(C=O)CCC1 | 11 |
| 3da9_ligand_2_6.mol2 | 3da9 | 1 | -6.39 | N(C(=O)[C@@H]1CCCN1C=O)C | 11 |
120 ,
13
