IUPAC name
2-methyl-1,2-bis(pyridin-3-yl)propan-1-one
SMILES
CC(C)(C(=O)C1=CN=CC=C1)C1=CN=CC=C1
Compound class
Enzyme Inhibitors; Antimetabolites; Diagnostic Agents; Tests for Pituitary Function; CYP2A6 Inhibitors; CYP2A6 Inhibitors (strong); CYP2A6 Inhibitors (moderate); CYP2A6 Inducers; CYP2A6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
Used as a diagnostic drug for testing hypothalamic-pituitary ACTH function. Occasionally used in Cushing's syndrome.
Common name
Metyrapone
IUPAC name
2-methyl-1,2-bis(pyridin-3-yl)propan-1-one
SMILES
CC(C)(C(=O)C1=CN=CC=C1)C1=CN=CC=C1
INCHI
InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
FORMULA
C14H14N2O
Common name
Metyrapone
IUPAC name
2-methyl-1,2-bis(pyridin-3-yl)propan-1-one
Molecular weight
226.274
clogP
3.057
clogS
-3.738
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
42.85
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF02266 | 3-isopropylpyridine |
|
n1cc(ccc1)C(C)C | 0.0003 |
| FDBF02267 | 2-methylpropanal |
|
O=CC(C)C | 0.0014 |
| FDBF02268 | pyridine-3-carbaldehyde |
|
O=Cc1cnccc1 | 0.0003 |
| FDBF02269 | 2-methyl-2-(3-pyridyl)propanal |
|
n1cc(ccc1)C(C=O)(C)C | 0.0003 |
| FDBF02270 | 2-methyl-1-(3-pyridyl)propan-1-one |
|
O=C(C(C)C)c1cnccc1 | 0.0003 |
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