TL;DR: (4aS,9bR)-N,2,8-trimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide (CAS 1214625-71-4) is a chemical compound with molecular formula C15H21N3O and molecular weight 259.16846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4aS,9bR)-N,2,8-trimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carboxamide
Also Known As: (4aS,9bR)-N,2,8-trimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide, (4aS,9bR)-N,2,8-trimethyl-2,3,4,4a-tetrahydro-1H-pyrido[4,3-b]indole-5(9bH)-carboxamide, (4aS,9bR)-N,2,8-trimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indole-5-carboxamide
| Molecular Formula | C15H21N3O |
| Molecular Weight | 259.16846 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 35.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 259.16846 Da |
| Heavy Atoms | 19 |
| Complexity | 359.0 |
| SMILES | CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)C(=O)NC |
| InChIKey | ZLLYQMRMDBRZGG-JSGCOSHPSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aS,9bR)-N,2,8-trimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide. With a topological polar surface area (TPSA) of 35.6 Ų, (4aS,9bR)-N,2,8-trimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aS,9bR)-N,2,8-trimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide 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 (4aS,9bR)-N,2,8-trimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide is 1214625-71-4.
The molecular formula of (4aS,9bR)-N,2,8-trimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide is C15H21N3O.
The molecular weight of (4aS,9bR)-N,2,8-trimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indole-5-carboxamide is 259.16846 g/mol.
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