6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride

C26H35ClN4O5 — CID 130406155

About 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride

6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 130406155) has the molecular formula C26H35ClN4O5 and a molecular weight of 519.04 g/mol. Its IUPAC name is 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
• PubChem CID: 130406155
• Molecular Formula: C26H35ClN4O5
• Molecular Weight: 519.04 g/mol
• Exact Mass: 518.23
• IUPAC Name: 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride
• SMILES: CCOc1nc(OC2CCN(C(C)=O)CC2)ccc1C(=O)NCC(O)C1Cc2ccccc2CN1.Cl
• InChI: InChI=1S/C26H34N4O5.ClH/c1-3-34-26-21(8-9-24(29-26)35-20-10-12-30(13-11-20)17(2)31)25(33)28-16-23(32)22-14-18-6-4-5-7-19(18)15-27-22;/h4-9,20,22-23,27,32H,3,10-16H2,1-2H3,(H,28,33);1H
• InChIKey: BTTRWSAZWXWEOJ-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 113.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.04
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride?

The IUPAC name of 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride (CID 130406155) is 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride.

What is the SMILES notation for 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride?

The canonical SMILES for 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride is CCOc1nc(OC2CCN(C(C)=O)CC2)ccc1C(=O)NCC(O)C1Cc2ccccc2CN1.Cl.

What is the InChIKey of 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride?

The InChIKey is BTTRWSAZWXWEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5.ClH/c1-3-34-26-21(8-9-24(29-26)35-20-10-12-30(13-11-20)17(2)31)25(33)28-16-23(32)22-14-18-6-4-5-7-19(18)15-27-22;/h4-9,20,22-23,27,32H,3,10-16H2,1-2H3,(H,28,33);1H.

What are the key properties of 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride?

6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 519.04 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[2-hydroxy-2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130406155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).