TL;DR: 1-(Pyridin-3-ylmethyl)-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea (CAS 123614-32-4) is a chemical compound with molecular formula C17H23N3O and molecular weight 285.1841 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-adamantyl)-3-(pyridin-3-ylmethyl)urea
Also Known As: 1-(1-adamantyl)-3-(pyridin-3-ylmethyl)urea, N-adamantanyl[(3-pyridylmethyl)amino]carboxamide, 1-(pyridin-3-ylmethyl)-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea, 1-((3s,5s,7s)-adamantan-1-yl)-3-(pyridin-3-ylmethyl)urea
| Molecular Formula | C17H23N3O |
| Molecular Weight | 285.1841 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.1841 Da |
| Heavy Atoms | 21 |
| Complexity | 368.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)NCC4=CN=CC=C4 |
| InChIKey | SWXBHOLNTAJPFV-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Pyridin-3-ylmethyl)-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea. With a topological polar surface area (TPSA) of 54.0 Ų, 1-(Pyridin-3-ylmethyl)-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pyridin-3-ylmethyl)-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(Pyridin-3-ylmethyl)-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea is 123614-32-4.
The molecular formula of 1-(Pyridin-3-ylmethyl)-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea is C17H23N3O.
The molecular weight of 1-(Pyridin-3-ylmethyl)-3-tricyclo[3.3.1.1~3,7~]dec-1-ylurea is 285.1841 g/mol.
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