TL;DR: 9H-Pyrido(3,4-b)indole-1-carboxamide, N-(2-(dimethylamino)ethyl)-, dihydrochloride (CAS 112022-30-7) is a chemical compound with molecular formula C16H20Cl2N4O and molecular weight 354.1014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(dimethylamino)ethyl]-9H-pyrido[3,4-b]indole-1-carboxamide;dihydrochloride
Also Known As: 9H-Pyrido(3,4-b)indole-1-carboxamide, N-(2-(dimethylamino)ethyl)-, dihydrochloride, N-(2-dimethylaminoethyl)-9H-pyrido[3,4-b]indole-1-carboxamide dihydrochloride, N-[2-(Dimethylamino)ethyl]-9H-pyrido[3,4-b]indole-1-carboxamide--hydrogen chloride (1/2)
| Molecular Formula | C16H20Cl2N4O |
| Molecular Weight | 354.1014 g/mol |
| XLogP | 2.8511 |
| Topological Polar Surface Area (TPSA) | 61.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.1014 Da |
| Heavy Atoms | 23 |
| Complexity | 373.0 |
| SMILES | CN(C)CCNC(=O)C1=NC=CC2=C1NC3=CC=CC=C23.Cl.Cl |
| InChIKey | HTFKZBWMKTYOFO-UHFFFAOYSA-N |
The XLogP value of 2.8511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-Pyrido(3,4-b)indole-1-carboxamide, N-(2-(dimethylamino)ethyl)-, dihydrochloride. The TPSA of 61.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-Pyrido(3,4-b)indole-1-carboxamide, N-(2-(dimethylamino)ethyl)-, dihydrochloride. Following Lipinski's Rule of Five, 9H-Pyrido(3,4-b)indole-1-carboxamide, N-(2-(dimethylamino)ethyl)-, dihydrochloride has 4 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 9H-Pyrido(3,4-b)indole-1-carboxamide, N-(2-(dimethylamino)ethyl)-, dihydrochloride is 112022-30-7.
The molecular formula of 9H-Pyrido(3,4-b)indole-1-carboxamide, N-(2-(dimethylamino)ethyl)-, dihydrochloride is C16H20Cl2N4O.
The molecular weight of 9H-Pyrido(3,4-b)indole-1-carboxamide, N-(2-(dimethylamino)ethyl)-, dihydrochloride is 354.1014 g/mol.
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