N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

C25H33N5O6 — CID 118252916

About N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 118252916) has the molecular formula C25H33N5O6 and a molecular weight of 499.57 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• PubChem CID: 118252916
• Molecular Formula: C25H33N5O6
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.24
• IUPAC Name: N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• SMILES: CCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N(CCCCO)CC2
• InChI: InChI=1S/C25H33N5O6/c1-3-35-24-19(6-7-21(27-24)29-13-11-28(12-14-29)17(2)32)26-23(33)18-16-36-20-8-10-30(9-4-5-15-31)25(34)22(18)20/h6-7,16,31H,3-5,8-15H2,1-2H3,(H,26,33)
• InChIKey: VOLKTNMKVIPUSL-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 128.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (CID 118252916) is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is CCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N(CCCCO)CC2.

What is the InChIKey of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The InChIKey is VOLKTNMKVIPUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O6/c1-3-35-24-19(6-7-21(27-24)29-13-11-28(12-14-29)17(2)32)26-23(33)18-16-36-20-8-10-30(9-4-5-15-31)25(34)22(18)20/h6-7,16,31H,3-5,8-15H2,1-2H3,(H,26,33).

What are the key properties of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118252916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).