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

C32H39N5O6 — CID 118252970

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

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 118252970) has the molecular formula C32H39N5O6 and a molecular weight of 589.69 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide
• PubChem CID: 118252970
• Molecular Formula: C32H39N5O6
• Molecular Weight: 589.69 g/mol
• Exact Mass: 589.29
• IUPAC Name: N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide
• SMILES: CCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N(CCOCc1ccccc1)C(C)(C)C2
• InChI: InChI=1S/C32H39N5O6/c1-5-42-30-25(11-12-27(34-30)36-15-13-35(14-16-36)22(2)38)33-29(39)24-21-43-26-19-32(3,4)37(31(40)28(24)26)17-18-41-20-23-9-7-6-8-10-23/h6-12,21H,5,13-20H2,1-4H3,(H,33,39)
• InChIKey: AJARNOLUBKLHMF-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 117.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.69
LogP ≤ 5	3.99
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]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide?

The IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide (CID 118252970) is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide is CCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N(CCOCc1ccccc1)C(C)(C)C2.

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

The InChIKey is AJARNOLUBKLHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O6/c1-5-42-30-25(11-12-27(34-30)36-15-13-35(14-16-36)22(2)38)33-29(39)24-21-43-26-19-32(3,4)37(31(40)28(24)26)17-18-41-20-23-9-7-6-8-10-23/h6-12,21H,5,13-20H2,1-4H3,(H,33,39).

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

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 589.69 g/mol, XLogP of 3.99, 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]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118252970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).