6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

C25H32N8O — CID 70815544

About 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide

6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (PubChem CID 70815544) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
• PubChem CID: 70815544
• Molecular Formula: C25H32N8O
• Molecular Weight: 460.59 g/mol
• Exact Mass: 460.27
• IUPAC Name: 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
• SMILES: CCc1nc(Nc2cccc(C(=O)Nc3c(C)cc(C)cc3C)n2)nc(N2CCN(C)CC2)n1
• InChI: InChI=1S/C25H32N8O/c1-6-20-27-24(31-25(29-20)33-12-10-32(5)11-13-33)28-21-9-7-8-19(26-21)23(34)30-22-17(3)14-16(2)15-18(22)4/h7-9,14-15H,6,10-13H2,1-5H3,(H,30,34)(H,26,27,28,29,31)
• InChIKey: QOUFEFQYCSGTTG-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 99.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.59
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?

The IUPAC name of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide (CID 70815544) is 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide.

What is the SMILES notation for 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?

The canonical SMILES for 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is CCc1nc(Nc2cccc(C(=O)Nc3c(C)cc(C)cc3C)n2)nc(N2CCN(C)CC2)n1.

What is the InChIKey of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?

The InChIKey is QOUFEFQYCSGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O/c1-6-20-27-24(31-25(29-20)33-12-10-32(5)11-13-33)28-21-9-7-8-19(26-21)23(34)30-22-17(3)14-16(2)15-18(22)4/h7-9,14-15H,6,10-13H2,1-5H3,(H,30,34)(H,26,27,28,29,31).

What are the key properties of 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide?

6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide has a molecular weight of 460.59 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 70815544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).