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

C30H35N5O6 — CID 118253072

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

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 118253072) has the molecular formula C30H35N5O6 and a molecular weight of 561.64 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• PubChem CID: 118253072
• Molecular Formula: C30H35N5O6
• Molecular Weight: 561.64 g/mol
• Exact Mass: 561.26
• IUPAC Name: N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• SMILES: CCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N(CCOCc1ccccc1)CC2
• InChI: InChI=1S/C30H35N5O6/c1-3-40-29-24(9-10-26(32-29)34-15-13-33(14-16-34)21(2)36)31-28(37)23-20-41-25-11-12-35(30(38)27(23)25)17-18-39-19-22-7-5-4-6-8-22/h4-10,20H,3,11-19H2,1-2H3,(H,31,37)
• InChIKey: HGAWQTGRZRSYJM-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 117.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.64
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
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]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (CID 118253072) is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-4-oxo-5-(2-phenylmethoxyethyl)-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]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is CCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N(CCOCc1ccccc1)CC2.

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

The InChIKey is HGAWQTGRZRSYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O6/c1-3-40-29-24(9-10-26(32-29)34-15-13-33(14-16-34)21(2)36)31-28(37)23-20-41-25-11-12-35(30(38)27(23)25)17-18-39-19-22-7-5-4-6-8-22/h4-10,20H,3,11-19H2,1-2H3,(H,31,37).

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

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 561.64 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 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]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118253072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).