6-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]oxan-4-yl]-methylamino]-5-methyl-1-benzofuran-4-carboxamide

C24H29N3O5 — CID 154699310

About 6-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]oxan-4-yl]-methylamino]-5-methyl-1-benzofuran-4-carboxamide

6-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]oxan-4-yl]-methylamino]-5-methyl-1-benzofuran-4-carboxamide (PubChem CID 154699310) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 6-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]oxan-4-yl]-methylamino]-5-methyl-1-benzofuran-4-carboxamide.

Molecular Properties

• Compound Name: 6-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]oxan-4-yl]-methylamino]-5-methyl-1-benzofuran-4-carboxamide
• PubChem CID: 154699310
• Molecular Formula: C24H29N3O5
• Molecular Weight: 439.51 g/mol
• Exact Mass: 439.21
• IUPAC Name: 6-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]oxan-4-yl]-methylamino]-5-methyl-1-benzofuran-4-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CC1COCCC1N(C)c1cc2occc2c(C(N)=O)c1C
• InChI: InChI=1S/C24H29N3O5/c1-13-9-20(30-4)17(24(29)26-13)10-15-12-31-7-6-18(15)27(3)19-11-21-16(5-8-32-21)22(14(19)2)23(25)28/h5,8-9,11,15,18H,6-7,10,12H2,1-4H3,(H2,25,28)(H,26,29)
• InChIKey: OPZJTKWMPLCLNN-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 110.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.51
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]oxan-4-yl]-methylamino]-5-methyl-1-benzofuran-4-carboxamide (CID 154699310) is 6-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]oxan-4-yl]-methylamino]-5-methyl-1-benzofuran-4-carboxamide.

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

The canonical SMILES for 6-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]oxan-4-yl]-methylamino]-5-methyl-1-benzofuran-4-carboxamide is COc1cc(C)[nH]c(=O)c1CC1COCCC1N(C)c1cc2occc2c(C(N)=O)c1C.

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

The InChIKey is OPZJTKWMPLCLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-13-9-20(30-4)17(24(29)26-13)10-15-12-31-7-6-18(15)27(3)19-11-21-16(5-8-32-21)22(14(19)2)23(25)28/h5,8-9,11,15,18H,6-7,10,12H2,1-4H3,(H2,25,28)(H,26,29).

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

6-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]oxan-4-yl]-methylamino]-5-methyl-1-benzofuran-4-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]oxan-4-yl]-methylamino]-5-methyl-1-benzofuran-4-carboxamide is sourced from PubChem (CID 154699310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).