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

C26H34N4O5 — CID 130406153

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

6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide (PubChem CID 130406153) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide
• PubChem CID: 130406153
• Molecular Formula: C26H34N4O5
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.25
• IUPAC Name: 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide
• SMILES: CCOc1nc(OC2CCN(C(C)=O)CC2)ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1
• InChI: InChI=1S/C26H34N4O5/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)/t22-,23+/m0/s1
• InChIKey: MDAKBZCHTQOXEC-XZOQPEGZSA-N
• XLogP: 1.68
• TPSA: 113.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	1.68
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-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide?

The IUPAC name of 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide (CID 130406153) is 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide.

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

The canonical SMILES for 6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide is CCOc1nc(OC2CCN(C(C)=O)CC2)ccc1C(=O)NC[C@@H](O)[C@@H]1Cc2ccccc2CN1.

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

The InChIKey is MDAKBZCHTQOXEC-XZOQPEGZSA-N. The full InChI is InChI=1S/C26H34N4O5/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)/t22-,23+/m0/s1.

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

6-(1-acetylpiperidin-4-yl)oxy-2-ethoxy-N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 1.68, 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-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 130406153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).