5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide

C31H42N4O5 — CID 155903346

About 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide

5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide (PubChem CID 155903346) has the molecular formula C31H42N4O5 and a molecular weight of 550.70 g/mol. Its IUPAC name is 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide
• PubChem CID: 155903346
• Molecular Formula: C31H42N4O5
• Molecular Weight: 550.70 g/mol
• Exact Mass: 550.32
• IUPAC Name: 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide
• SMILES: CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCC3)cc2c1C(=O)NCC1C(=O)N=C(C)C=C1OC
• InChI: InChI=1S/C31H42N4O5/c1-5-23-26(35(6-2)21-9-13-39-14-10-21)17-28-24(16-22(40-28)19-34-11-7-8-12-34)29(23)31(37)32-18-25-27(38-4)15-20(3)33-30(25)36/h15-17,21,25H,5-14,18-19H2,1-4H3,(H,32,37)
• InChIKey: YTKWAMYEAKAKQW-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 96.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.70
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide?

The IUPAC name of 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide (CID 155903346) is 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide.

What is the SMILES notation for 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide?

The canonical SMILES for 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide is CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCCC3)cc2c1C(=O)NCC1C(=O)N=C(C)C=C1OC.

What is the InChIKey of 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide?

The InChIKey is YTKWAMYEAKAKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O5/c1-5-23-26(35(6-2)21-9-13-39-14-10-21)17-28-24(16-22(40-28)19-34-11-7-8-12-34)29(23)31(37)32-18-25-27(38-4)15-20(3)33-30(25)36/h15-17,21,25H,5-14,18-19H2,1-4H3,(H,32,37).

What are the key properties of 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide?

5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide has a molecular weight of 550.70 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-6-[ethyl(oxan-4-yl)amino]-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1-benzofuran-4-carboxamide is sourced from PubChem (CID 155903346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).