5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane

C26H32N4O4 — CID 145414112

About 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane

5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane (PubChem CID 145414112) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane
• PubChem CID: 145414112
• Molecular Formula: C26H32N4O4
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.24
• IUPAC Name: 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane
• SMILES: CC.COc1cc(C(=O)NC2CCN(CCc3ccc4c(c3C)COC4=O)CC2)ncc1C#N
• InChI: InChI=1S/C24H26N4O4.C2H6/c1-15-16(3-4-19-20(15)14-32-24(19)30)5-8-28-9-6-18(7-10-28)27-23(29)21-11-22(31-2)17(12-25)13-26-21;1-2/h3-4,11,13,18H,5-10,14H2,1-2H3,(H,27,29);1-2H3
• InChIKey: DUWOEGQSARCROK-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 104.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane?

The IUPAC name of 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane (CID 145414112) is 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane.

What is the SMILES notation for 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane?

The canonical SMILES for 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane is CC.COc1cc(C(=O)NC2CCN(CCc3ccc4c(c3C)COC4=O)CC2)ncc1C#N.

What is the InChIKey of 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane?

The InChIKey is DUWOEGQSARCROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4.C2H6/c1-15-16(3-4-19-20(15)14-32-24(19)30)5-8-28-9-6-18(7-10-28)27-23(29)21-11-22(31-2)17(12-25)13-26-21;1-2/h3-4,11,13,18H,5-10,14H2,1-2H3,(H,27,29);1-2H3.

What are the key properties of 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane?

5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane has a molecular weight of 464.57 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-4-methoxy-N-[1-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]piperidin-4-yl]pyridine-2-carboxamide;ethane is sourced from PubChem (CID 145414112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).