TL;DR: 2-(ethylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CAS 163770-39-6) is a chemical compound with molecular formula C13H17N3O and molecular weight 231.13716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(ethylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
Also Known As: 2-(ethylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile, 2-(ethylamino)-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile, 9-ethylamino-3,3-dimethyl-4-oxa-10-azabicyclo[4.4.0]deca-6,8,10-triene-8-carbonitrile
| Molecular Formula | C13H17N3O |
| Molecular Weight | 231.13716 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.13716 Da |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
| SMILES | CCNC1=C(C=C2COC(CC2=N1)(C)C)C#N |
| InChIKey | UHHXJNLBODGQKK-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(ethylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 57.9 Ų, 2-(ethylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(ethylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(ethylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is 163770-39-6.
The molecular formula of 2-(ethylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is C13H17N3O.
The molecular weight of 2-(ethylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is 231.13716 g/mol.
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