TL;DR: [(1-Cyanocyclohexyl)carbamoyl]methyl 5-methylpyrazine-2-carboxylate (CAS 1090869-29-6) is a chemical compound with molecular formula C15H18N4O3 and molecular weight 302.13788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
Also Known As: [(1-cyanocyclohexyl)carbamoyl]methyl 5-methylpyrazine-2-carboxylate|[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate|EN300-26686467|Z18456381
| Molecular Formula | C15H18N4O3 |
| Molecular Weight | 302.13788 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.13788 Da |
| Heavy Atoms | 22 |
| Complexity | 465.0 |
| SMILES | CC1=CN=C(C=N1)C(=O)OCC(=O)NC2(CCCCC2)C#N |
| InChIKey | JLBFXKBTPKDFQO-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1-Cyanocyclohexyl)carbamoyl]methyl 5-methylpyrazine-2-carboxylate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1-Cyanocyclohexyl)carbamoyl]methyl 5-methylpyrazine-2-carboxylate. Following Lipinski's Rule of Five, [(1-Cyanocyclohexyl)carbamoyl]methyl 5-methylpyrazine-2-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [(1-Cyanocyclohexyl)carbamoyl]methyl 5-methylpyrazine-2-carboxylate is 1090869-29-6.
The molecular formula of [(1-Cyanocyclohexyl)carbamoyl]methyl 5-methylpyrazine-2-carboxylate is C15H18N4O3.
The molecular weight of [(1-Cyanocyclohexyl)carbamoyl]methyl 5-methylpyrazine-2-carboxylate is 302.13788 g/mol.
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