TL;DR: N'-[4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]pyridine-4-carbohydrazide (CAS 1005110-47-3) is a chemical compound with molecular formula C19H27N3O2 and molecular weight 329.21033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]pyridine-4-carbohydrazide
Also Known As: N'-[4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]pyridine-4-carbohydrazide, N'-(4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl)isonicotinohydrazide, N'-[1-methyl-3-oxo-3-(2,6,6-trimethylcyclohex-3-en-1-yl)propyl]pyridine-4-carbohydrazide
| Molecular Formula | C19H27N3O2 |
| Molecular Weight | 329.21033 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.21033 Da |
| Heavy Atoms | 24 |
| Complexity | 481.0 |
| SMILES | CC1C=CCC(C1C(=O)CC(C)NNC(=O)C2=CC=NC=C2)(C)C |
| InChIKey | DFOMBGOIZRDJAG-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]pyridine-4-carbohydrazide. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]pyridine-4-carbohydrazide. Following Lipinski's Rule of Five, N'-[4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]pyridine-4-carbohydrazide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N'-[4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]pyridine-4-carbohydrazide is 1005110-47-3.
The molecular formula of N'-[4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]pyridine-4-carbohydrazide is C19H27N3O2.
The molecular weight of N'-[4-oxo-4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-yl]pyridine-4-carbohydrazide is 329.21033 g/mol.
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