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

C26H33N5O5 — CID 118252832

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

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-prop-2-enyl-7H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 118252832) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-prop-2-enyl-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-prop-2-enyl-7H-furo[3,2-c]pyridine-3-carboxamide
• PubChem CID: 118252832
• Molecular Formula: C26H33N5O5
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.25
• IUPAC Name: N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-prop-2-enyl-7H-furo[3,2-c]pyridine-3-carboxamide
• SMILES: C=CCN1C(=O)c2c(C(=O)Nc3ccc(N4CCN(C(C)=O)CC4)nc3OCC)coc2CC1(C)C
• InChI: InChI=1S/C26H33N5O5/c1-6-10-31-25(34)22-18(16-36-20(22)15-26(31,4)5)23(33)27-19-8-9-21(28-24(19)35-7-2)30-13-11-29(12-14-30)17(3)32/h6,8-9,16H,1,7,10-15H2,2-5H3,(H,27,33)
• InChIKey: FBWOIZQPCNXBIJ-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 108.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', '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-prop-2-enyl-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-prop-2-enyl-7H-furo[3,2-c]pyridine-3-carboxamide (CID 118252832) is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-prop-2-enyl-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-prop-2-enyl-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-prop-2-enyl-7H-furo[3,2-c]pyridine-3-carboxamide is C=CCN1C(=O)c2c(C(=O)Nc3ccc(N4CCN(C(C)=O)CC4)nc3OCC)coc2CC1(C)C.

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

The InChIKey is FBWOIZQPCNXBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-6-10-31-25(34)22-18(16-36-20(22)15-26(31,4)5)23(33)27-19-8-9-21(28-24(19)35-7-2)30-13-11-29(12-14-30)17(3)32/h6,8-9,16H,1,7,10-15H2,2-5H3,(H,27,33).

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

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-prop-2-enyl-7H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-prop-2-enyl-7H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118252832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).