TL;DR: 3-Pyridinecarboxamide, 5-bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- (CAS 126999-38-0) is a chemical compound with molecular formula C16H19BrN2O and molecular weight 334.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-adamantyl)-5-bromopyridine-3-carboxamide
Also Known As: 1-(5-Bromonicotinoylamino)adamantane, N-1-adamantyl-5-bromonicotinamide, N-(1-adamantyl)-5-bromopyridine-3-carboxamide, 3-Pyridinecarboxamide, 5-bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-, 3-Pyridinecarboxamide,5-bromo-N-tricyclo[3.3.1.13,7]dec-1-yl-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H19BrN2O |
| Molecular Weight | 334.06808 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.06808 Da |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
| Solubility | 8.5 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CN=C4)Br |
| InChIKey | ZZAVMUUVTVJDNX-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 3-Pyridinecarboxamide, 5-bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, 3-Pyridinecarboxamide, 5-bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxamide, 5-bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- has 1 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 3-Pyridinecarboxamide, 5-bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- is 126999-38-0.
The molecular formula of 3-Pyridinecarboxamide, 5-bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- is C16H19BrN2O.
The molecular weight of 3-Pyridinecarboxamide, 5-bromo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl- is 334.06808 g/mol.
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