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

C20H16F5N3O4 — CID 170972731

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

4-[[(2R,3S)-3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 170972731) has the molecular formula C20H16F5N3O4 and a molecular weight of 457.36 g/mol. Its IUPAC name is 4-[[(2R,3S)-3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[(2R,3S)-3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonyl]amino]pyridine-2-carboxamide
• PubChem CID: 170972731
• Molecular Formula: C20H16F5N3O4
• Molecular Weight: 457.36 g/mol
• Exact Mass: 457.11
• IUPAC Name: 4-[[(2R,3S)-3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonyl]amino]pyridine-2-carboxamide
• SMILES: COc1c([C@@H]2C(C)=C(C(F)(F)F)O[C@H]2C(=O)Nc2ccnc(C(N)=O)c2)ccc(F)c1F
• InChI: InChI=1S/C20H16F5N3O4/c1-8-13(10-3-4-11(21)14(22)15(10)31-2)16(32-17(8)20(23,24)25)19(30)28-9-5-6-27-12(7-9)18(26)29/h3-7,13,16H,1-2H3,(H2,26,29)(H,27,28,30)/t13-,16+/m0/s1
• InChIKey: STDUDPJWJAQLSZ-XJKSGUPXSA-N
• XLogP: 3.42
• TPSA: 103.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.36
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[[(2R,3S)-3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonyl]amino]pyridine-2-carboxamide (CID 170972731) is 4-[[(2R,3S)-3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonyl]amino]pyridine-2-carboxamide.

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

The canonical SMILES for 4-[[(2R,3S)-3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonyl]amino]pyridine-2-carboxamide is COc1c([C@@H]2C(C)=C(C(F)(F)F)O[C@H]2C(=O)Nc2ccnc(C(N)=O)c2)ccc(F)c1F.

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

The InChIKey is STDUDPJWJAQLSZ-XJKSGUPXSA-N. The full InChI is InChI=1S/C20H16F5N3O4/c1-8-13(10-3-4-11(21)14(22)15(10)31-2)16(32-17(8)20(23,24)25)19(30)28-9-5-6-27-12(7-9)18(26)29/h3-7,13,16H,1-2H3,(H2,26,29)(H,27,28,30)/t13-,16+/m0/s1.

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

4-[[(2R,3S)-3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 457.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2R,3S)-3-(3,4-difluoro-2-methoxyphenyl)-4-methyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 170972731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).