6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide

C23H28F3N3O2 — CID 58731811

About 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide

6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 58731811) has the molecular formula C23H28F3N3O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
• PubChem CID: 58731811
• Molecular Formula: C23H28F3N3O2
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.21
• IUPAC Name: 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
• SMILES: Cc1ccc(C(F)(F)F)cc1Nc1cc(C(C)C)c(C(=O)NCC2CCOCC2)cn1
• InChI: InChI=1S/C23H28F3N3O2/c1-14(2)18-11-21(29-20-10-17(23(24,25)26)5-4-15(20)3)27-13-19(18)22(30)28-12-16-6-8-31-9-7-16/h4-5,10-11,13-14,16H,6-9,12H2,1-3H3,(H,27,29)(H,28,30)
• InChIKey: BQWOGVBDCYMDLJ-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?

The IUPAC name of 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide (CID 58731811) is 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide.

What is the SMILES notation for 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?

The canonical SMILES for 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide is Cc1ccc(C(F)(F)F)cc1Nc1cc(C(C)C)c(C(=O)NCC2CCOCC2)cn1.

What is the InChIKey of 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?

The InChIKey is BQWOGVBDCYMDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O2/c1-14(2)18-11-21(29-20-10-17(23(24,25)26)5-4-15(20)3)27-13-19(18)22(30)28-12-16-6-8-31-9-7-16/h4-5,10-11,13-14,16H,6-9,12H2,1-3H3,(H,27,29)(H,28,30).

What are the key properties of 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?

6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 58731811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).