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

C24H31N5O7 — CID 118252968

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

N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-5-(2-hydroxyethyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 118252968) has the molecular formula C24H31N5O7 and a molecular weight of 501.54 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-5-(2-hydroxyethyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-5-(2-hydroxyethyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• PubChem CID: 118252968
• Molecular Formula: C24H31N5O7
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.22
• IUPAC Name: N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-5-(2-hydroxyethyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• SMILES: COCCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N(CCO)CC2
• InChI: InChI=1S/C24H31N5O7/c1-16(31)27-7-9-28(10-8-27)20-4-3-18(23(26-20)35-14-13-34-2)25-22(32)17-15-36-19-5-6-29(11-12-30)24(33)21(17)19/h3-4,15,30H,5-14H2,1-2H3,(H,25,32)
• InChIKey: PQRUIHMBZDGZMI-UHFFFAOYSA-N
• XLogP: 0.61
• TPSA: 137.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.54
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-(2-methoxyethoxy)-3-pyridinyl]-5-(2-hydroxyethyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-5-(2-hydroxyethyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (CID 118252968) is N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-5-(2-hydroxyethyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-5-(2-hydroxyethyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is COCCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N(CCO)CC2.

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

The InChIKey is PQRUIHMBZDGZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O7/c1-16(31)27-7-9-28(10-8-27)20-4-3-18(23(26-20)35-14-13-34-2)25-22(32)17-15-36-19-5-6-29(11-12-30)24(33)21(17)19/h3-4,15,30H,5-14H2,1-2H3,(H,25,32).

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

N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-5-(2-hydroxyethyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 501.54 g/mol, XLogP of 0.61, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-5-(2-hydroxyethyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118252968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).