2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide

C₂₃H₃₀N₄O₄ — CID 130421274

About 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide

2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 130421274) has the molecular formula C₂₃H₃₀N₄O₄ and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
• PubChem CID: 130421274
• Molecular Formula: C₂₃H₃₀N₄O₄
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.23
• IUPAC Name: 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
• SMILES: CCOc1nc(N2CCOCC2)ccc1C(=O)NCC(O)[C@@H]1Cc2ccccc2CN1
• InChI: InChI=1S/C23H30N4O4/c1-2-31-23-18(7-8-21(26-23)27-9-11-30-12-10-27)22(29)25-15-20(28)19-13-16-5-3-4-6-17(16)14-24-19/h3-8,19-20,24,28H,2,9-15H2,1H3,(H,25,29)/t19-,20?/m0/s1
• InChIKey: DZEGXKRSFMOEEO-XJDOXCRVSA-N
• XLogP: 1.12
• TPSA: 95.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide?

The IUPAC name of 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 130421274) is 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide.

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

The canonical SMILES for 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide is CCOc1nc(N2CCOCC2)ccc1C(=O)NCC(O)[C@@H]1Cc2ccccc2CN1.

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

The InChIKey is DZEGXKRSFMOEEO-XJDOXCRVSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-2-31-23-18(7-8-21(26-23)27-9-11-30-12-10-27)22(29)25-15-20(28)19-13-16-5-3-4-6-17(16)14-24-19/h3-8,19-20,24,28H,2,9-15H2,1H3,(H,25,29)/t19-,20?/m0/s1.

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

2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 130421274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130421274 — identifiers, structure, computed properties (public domain)

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