4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

C20H18F5N3O3 — CID 169046918

About 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide

4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 169046918) has the molecular formula C20H18F5N3O3 and a molecular weight of 443.37 g/mol. Its IUPAC name is 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
• PubChem CID: 169046918
• Molecular Formula: C20H18F5N3O3
• Molecular Weight: 443.37 g/mol
• Exact Mass: 443.13
• IUPAC Name: 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
• SMILES: Cc1c(F)ccc([C@H]2C[C@](C)(C(F)(F)F)O[C@@H]2C(=O)Nc2ccnc(C(N)=O)c2)c1F
• InChI: InChI=1S/C20H18F5N3O3/c1-9-13(21)4-3-11(15(9)22)12-8-19(2,20(23,24)25)31-16(12)18(30)28-10-5-6-27-14(7-10)17(26)29/h3-7,12,16H,8H2,1-2H3,(H2,26,29)(H,27,28,30)/t12-,16+,19-/m1/s1
• InChIKey: FKRMUSOZFWVREV-RNRVQEDPSA-N
• XLogP: 3.60
• TPSA: 94.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.37
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The IUPAC name of 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide (CID 169046918) is 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is Cc1c(F)ccc([C@H]2C[C@](C)(C(F)(F)F)O[C@@H]2C(=O)Nc2ccnc(C(N)=O)c2)c1F.

What is the InChIKey of 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

The InChIKey is FKRMUSOZFWVREV-RNRVQEDPSA-N. The full InChI is InChI=1S/C20H18F5N3O3/c1-9-13(21)4-3-11(15(9)22)12-8-19(2,20(23,24)25)31-16(12)18(30)28-10-5-6-27-14(7-10)17(26)29/h3-7,12,16H,8H2,1-2H3,(H2,26,29)(H,27,28,30)/t12-,16+,19-/m1/s1.

What are the key properties of 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide?

4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 443.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2S,3R,5R)-3-(2,4-difluoro-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 169046918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).