N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide

C29H34N2O4 — CID 20720648

About N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide

N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide (PubChem CID 20720648) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide.

Molecular Properties

• Compound Name: N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide
• PubChem CID: 20720648
• Molecular Formula: C29H34N2O4
• Molecular Weight: 474.60 g/mol
• Exact Mass: 474.25
• IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide
• SMILES: CCCCC(C(=O)NC(CC)c1ccc2c(c1)OCO2)n1cc(C)cc(Cc2ccccc2)c1=O
• InChI: InChI=1S/C29H34N2O4/c1-4-6-12-25(28(32)30-24(5-2)22-13-14-26-27(17-22)35-19-34-26)31-18-20(3)15-23(29(31)33)16-21-10-8-7-9-11-21/h7-11,13-15,17-18,24-25H,4-6,12,16,19H2,1-3H3,(H,30,32)
• InChIKey: CPWQNFGOAQOQCD-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 69.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.60
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide?

The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide (CID 20720648) is N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide.

What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide?

The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide is CCCCC(C(=O)NC(CC)c1ccc2c(c1)OCO2)n1cc(C)cc(Cc2ccccc2)c1=O.

What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide?

The InChIKey is CPWQNFGOAQOQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-4-6-12-25(28(32)30-24(5-2)22-13-14-26-27(17-22)35-19-34-26)31-18-20(3)15-23(29(31)33)16-21-10-8-7-9-11-21/h7-11,13-15,17-18,24-25H,4-6,12,16,19H2,1-3H3,(H,30,32).

What are the key properties of N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide?

N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide has a molecular weight of 474.60 g/mol, XLogP of 5.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1,3-benzodioxol-5-yl)propyl]-2-(3-benzyl-5-methyl-2-oxo-1-pyridinyl)hexanamide is sourced from PubChem (CID 20720648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).