1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide

C32H34N4O7 — CID 10054072

About 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide

1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide (PubChem CID 10054072) has the molecular formula C32H34N4O7 and a molecular weight of 586.65 g/mol. Its IUPAC name is 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide
• PubChem CID: 10054072
• Molecular Formula: C32H34N4O7
• Molecular Weight: 586.65 g/mol
• Exact Mass: 586.24
• IUPAC Name: 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide
• SMILES: Cn1ccc(C(=O)NCCOCCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O
• InChI: InChI=1S/C32H34N4O7/c1-35-17-13-25(27(31(35)39)42-21-23-9-5-3-6-10-23)29(37)33-15-19-41-20-16-34-30(38)26-14-18-36(2)32(40)28(26)43-22-24-11-7-4-8-12-24/h3-14,17-18H,15-16,19-22H2,1-2H3,(H,33,37)(H,34,38)
• InChIKey: KBKYEMAYISNILJ-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 129.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.65
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
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 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide?

The IUPAC name of 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide (CID 10054072) is 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide.

What is the SMILES notation for 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide?

The canonical SMILES for 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide is Cn1ccc(C(=O)NCCOCCNC(=O)c2ccn(C)c(=O)c2OCc2ccccc2)c(OCc2ccccc2)c1=O.

What is the InChIKey of 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide?

The InChIKey is KBKYEMAYISNILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O7/c1-35-17-13-25(27(31(35)39)42-21-23-9-5-3-6-10-23)29(37)33-15-19-41-20-16-34-30(38)26-14-18-36(2)32(40)28(26)43-22-24-11-7-4-8-12-24/h3-14,17-18H,15-16,19-22H2,1-2H3,(H,33,37)(H,34,38).

What are the key properties of 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide?

1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide has a molecular weight of 586.65 g/mol, XLogP of 2.42, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[2-[2-[(1-methyl-2-oxo-3-phenylmethoxypyridine-4-carbonyl)amino]ethoxy]ethyl]-2-oxo-3-phenylmethoxypyridine-4-carboxamide is sourced from PubChem (CID 10054072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).