4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide

C21H26N2O2 — CID 45230098

About 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide

4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide (PubChem CID 45230098) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide
• PubChem CID: 45230098
• Molecular Formula: C21H26N2O2
• Molecular Weight: 338.45 g/mol
• Exact Mass: 338.20
• IUPAC Name: 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide
• SMILES: Cc1cc2c(c(-c3ccccn3)c1)OC(CNC(=O)CCC(C)C)C2
• InChI: InChI=1S/C21H26N2O2/c1-14(2)7-8-20(24)23-13-17-12-16-10-15(3)11-18(21(16)25-17)19-6-4-5-9-22-19/h4-6,9-11,14,17H,7-8,12-13H2,1-3H3,(H,23,24)
• InChIKey: JYNXARAFTZLCDY-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.45
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide?

The IUPAC name of 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide (CID 45230098) is 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide.

What is the SMILES notation for 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide?

The canonical SMILES for 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide is Cc1cc2c(c(-c3ccccn3)c1)OC(CNC(=O)CCC(C)C)C2.

What is the InChIKey of 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide?

The InChIKey is JYNXARAFTZLCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14(2)7-8-20(24)23-13-17-12-16-10-15(3)11-18(21(16)25-17)19-6-4-5-9-22-19/h4-6,9-11,14,17H,7-8,12-13H2,1-3H3,(H,23,24).

What are the key properties of 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide?

4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide has a molecular weight of 338.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentanamide is sourced from PubChem (CID 45230098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).