TL;DR: Guanidine, 1-adamantyl-2-cyano-3-(3-pyridyl)- (CAS 67026-37-3) is a chemical compound with molecular formula C17H21N5 and molecular weight 295.1797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-adamantyl)-1-cyano-3-pyridin-3-ylguanidine
Also Known As: Guanidine, 1-adamantyl-2-cyano-3-(3-pyridyl)-, 1-Adamantyl-2-cyano-3-(3-pyridyl)guanidine, 2-(1-adamantyl)-1-cyano-3-pyridin-3-ylguanidine, Guanidine,N-cyano-N'-methyl-N''-3-pyridinyl, Guanidine, N-cyano-N'-3-pyridinyl-N''-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-
| Molecular Formula | C17H21N5 |
| Molecular Weight | 295.1797 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.1797 Da |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)N=C(NC#N)NC4=CN=CC=C4 |
| InChIKey | DEVSHLQEUXZEJI-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that Guanidine, 1-adamantyl-2-cyano-3-(3-pyridyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine, 1-adamantyl-2-cyano-3-(3-pyridyl)-. Following Lipinski's Rule of Five, Guanidine, 1-adamantyl-2-cyano-3-(3-pyridyl)- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Guanidine, 1-adamantyl-2-cyano-3-(3-pyridyl)- is 67026-37-3.
The molecular formula of Guanidine, 1-adamantyl-2-cyano-3-(3-pyridyl)- is C17H21N5.
The molecular weight of Guanidine, 1-adamantyl-2-cyano-3-(3-pyridyl)- is 295.1797 g/mol.
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