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

C24H31N5O6 — CID 118253120

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

N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 118253120) has the molecular formula C24H31N5O6 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• PubChem CID: 118253120
• Molecular Formula: C24H31N5O6
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.23
• IUPAC Name: N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
• SMILES: COCCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)NC(C)(C)C2
• InChI: InChI=1S/C24H31N5O6/c1-15(30)28-7-9-29(10-8-28)19-6-5-17(23(26-19)34-12-11-33-4)25-21(31)16-14-35-18-13-24(2,3)27-22(32)20(16)18/h5-6,14H,7-13H2,1-4H3,(H,25,31)(H,27,32)
• InChIKey: XIRZZCCIBZBOPS-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 126.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	1.69
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-(2-methoxyethoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?

The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (CID 118253120) is N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is COCCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)NC(C)(C)C2.

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

The InChIKey is XIRZZCCIBZBOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O6/c1-15(30)28-7-9-29(10-8-28)19-6-5-17(23(26-19)34-12-11-33-4)25-21(31)16-14-35-18-13-24(2,3)27-22(32)20(16)18/h5-6,14H,7-13H2,1-4H3,(H,25,31)(H,27,32).

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

N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 1.69, 7 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-(2-methoxyethoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118253120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).