5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C22H24F3N3O6 — CID 166486935

About 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 166486935) has the molecular formula C22H24F3N3O6 and a molecular weight of 483.44 g/mol. Its IUPAC name is 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• PubChem CID: 166486935
• Molecular Formula: C22H24F3N3O6
• Molecular Weight: 483.44 g/mol
• Exact Mass: 483.16
• IUPAC Name: 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
• SMILES: CN(C)C(=O)[C@@]1(C)COC[C@@H](COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)O1
• InChI: InChI=1S/C22H24F3N3O6/c1-21(20(31)28(2)3)11-32-9-14(34-21)10-33-13-6-4-12(5-7-13)15-8-16(18(26)29)19(30)27-17(15)22(23,24)25/h4-8,14H,9-11H2,1-3H3,(H2,26,29)(H,27,30)/t14-,21+/m0/s1
• InChIKey: VAHYHYQHMVTTBP-LHSJRXKWSA-N
• XLogP: 1.80
• TPSA: 123.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.44
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The IUPAC name of 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 166486935) is 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

What is the SMILES notation for 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The canonical SMILES for 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN(C)C(=O)[C@@]1(C)COC[C@@H](COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3C(F)(F)F)cc2)O1.

What is the InChIKey of 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

The InChIKey is VAHYHYQHMVTTBP-LHSJRXKWSA-N. The full InChI is InChI=1S/C22H24F3N3O6/c1-21(20(31)28(2)3)11-32-9-14(34-21)10-33-13-6-4-12(5-7-13)15-8-16(18(26)29)19(30)27-17(15)22(23,24)25/h4-8,14H,9-11H2,1-3H3,(H2,26,29)(H,27,30)/t14-,21+/m0/s1.

What are the key properties of 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?

5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 483.44 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[(2S,6R)-6-(dimethylcarbamoyl)-6-methyl-1,4-dioxan-2-yl]methoxy]phenyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 166486935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).