3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide

C30H34N8O4 — CID 178108870

About 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide

3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide (PubChem CID 178108870) has the molecular formula C30H34N8O4 and a molecular weight of 570.65 g/mol. Its IUPAC name is 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide
• PubChem CID: 178108870
• Molecular Formula: C30H34N8O4
• Molecular Weight: 570.65 g/mol
• Exact Mass: 570.27
• IUPAC Name: 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide
• SMILES: CCc1c(-c2ccc(-n3c(OCCNC)nn(C)c3=O)cc2)ccnc1N1CCN(c2cccc(C(=O)NC)c2)C1=O
• InChI: InChI=1S/C30H34N8O4/c1-5-24-25(20-9-11-22(12-10-20)38-28(42-18-15-31-2)34-35(4)29(38)40)13-14-33-26(24)37-17-16-36(30(37)41)23-8-6-7-21(19-23)27(39)32-3/h6-14,19,31H,5,15-18H2,1-4H3,(H,32,39)
• InChIKey: KXNKDTOLRVHZJT-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 126.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.65
LogP ≤ 5	2.60
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 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide?

The IUPAC name of 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide (CID 178108870) is 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide.

What is the SMILES notation for 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide?

The canonical SMILES for 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide is CCc1c(-c2ccc(-n3c(OCCNC)nn(C)c3=O)cc2)ccnc1N1CCN(c2cccc(C(=O)NC)c2)C1=O.

What is the InChIKey of 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide?

The InChIKey is KXNKDTOLRVHZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O4/c1-5-24-25(20-9-11-22(12-10-20)38-28(42-18-15-31-2)34-35(4)29(38)40)13-14-33-26(24)37-17-16-36(30(37)41)23-8-6-7-21(19-23)27(39)32-3/h6-14,19,31H,5,15-18H2,1-4H3,(H,32,39).

What are the key properties of 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide?

3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide has a molecular weight of 570.65 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-ethyl-4-[4-[1-methyl-3-[2-(methylamino)ethoxy]-5-oxo-1,2,4-triazol-4-yl]phenyl]-2-pyridinyl]-2-oxoimidazolidin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 178108870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).