8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide

C32H50N4O7 — CID 101236639

About 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide

8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide (PubChem CID 101236639) has the molecular formula C32H50N4O7 and a molecular weight of 602.77 g/mol. Its IUPAC name is 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide.

Molecular Properties

• Compound Name: 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide
• PubChem CID: 101236639
• Molecular Formula: C32H50N4O7
• Molecular Weight: 602.77 g/mol
• Exact Mass: 602.37
• IUPAC Name: 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide
• SMILES: Cc1c(O)c(=O)ccn1CCCCCCCC(=O)NCCOCCNC(=O)CCCCCCCn1ccc(=O)c(O)c1C
• InChI: InChI=1S/C32H50N4O7/c1-25-31(41)27(37)15-21-35(25)19-11-7-3-5-9-13-29(39)33-17-23-43-24-18-34-30(40)14-10-6-4-8-12-20-36-22-16-28(38)32(42)26(36)2/h15-16,21-22,41-42H,3-14,17-20,23-24H2,1-2H3,(H,33,39)(H,34,40)
• InChIKey: DSFRFRSBWASEMI-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 151.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 22
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.77
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide?

The IUPAC name of 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide (CID 101236639) is 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide.

What is the SMILES notation for 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide?

The canonical SMILES for 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide is Cc1c(O)c(=O)ccn1CCCCCCCC(=O)NCCOCCNC(=O)CCCCCCCn1ccc(=O)c(O)c1C.

What is the InChIKey of 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide?

The InChIKey is DSFRFRSBWASEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N4O7/c1-25-31(41)27(37)15-21-35(25)19-11-7-3-5-9-13-29(39)33-17-23-43-24-18-34-30(40)14-10-6-4-8-12-20-36-22-16-28(38)32(42)26(36)2/h15-16,21-22,41-42H,3-14,17-20,23-24H2,1-2H3,(H,33,39)(H,34,40).

What are the key properties of 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide?

8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide has a molecular weight of 602.77 g/mol, XLogP of 3.67, 22 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)-N-[2-[2-[8-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)octanoylamino]ethoxy]ethyl]octanamide is sourced from PubChem (CID 101236639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).