6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide

C32H38F3N7O4 — CID 146361244

About 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide

6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide (PubChem CID 146361244) has the molecular formula C32H38F3N7O4 and a molecular weight of 641.70 g/mol. Its IUPAC name is 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide
• PubChem CID: 146361244
• Molecular Formula: C32H38F3N7O4
• Molecular Weight: 641.70 g/mol
• Exact Mass: 641.29
• IUPAC Name: 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide
• SMILES: CCOc1ccc(C(=O)N2CCN(c3ccc(-c4cccnc4OCC)nc3C(=O)NC3CN(C)C3)[C@H](CC)C2)c(C(F)(F)F)n1
• InChI: InChI=1S/C32H38F3N7O4/c1-5-21-19-41(31(44)23-10-13-26(45-6-2)39-28(23)32(33,34)35)15-16-42(21)25-12-11-24(22-9-8-14-36-30(22)46-7-3)38-27(25)29(43)37-20-17-40(4)18-20/h8-14,20-21H,5-7,15-19H2,1-4H3,(H,37,43)/t21-/m1/s1
• InChIKey: IOXFDTIRLMUWPT-OAQYLSRUSA-N
• XLogP: 4.14
• TPSA: 113.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.70
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide?

The IUPAC name of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide (CID 146361244) is 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide.

What is the SMILES notation for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide?

The canonical SMILES for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide is CCOc1ccc(C(=O)N2CCN(c3ccc(-c4cccnc4OCC)nc3C(=O)NC3CN(C)C3)[C@H](CC)C2)c(C(F)(F)F)n1.

What is the InChIKey of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide?

The InChIKey is IOXFDTIRLMUWPT-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H38F3N7O4/c1-5-21-19-41(31(44)23-10-13-26(45-6-2)39-28(23)32(33,34)35)15-16-42(21)25-12-11-24(22-9-8-14-36-30(22)46-7-3)38-27(25)29(43)37-20-17-40(4)18-20/h8-14,20-21H,5-7,15-19H2,1-4H3,(H,37,43)/t21-/m1/s1.

What are the key properties of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide?

6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide has a molecular weight of 641.70 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-4-[6-ethoxy-2-(trifluoromethyl)pyridine-3-carbonyl]-2-ethylpiperazin-1-yl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146361244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).