4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide

C22H20F7N3O4 — CID 169047081

About 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide

4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide (PubChem CID 169047081) has the molecular formula C22H20F7N3O4 and a molecular weight of 523.41 g/mol. Its IUPAC name is 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide
• PubChem CID: 169047081
• Molecular Formula: C22H20F7N3O4
• Molecular Weight: 523.41 g/mol
• Exact Mass: 523.13
• IUPAC Name: 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide
• SMILES: Cc1cnc(C(N)=O)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@H](C)[C@@H]1c1ccc(F)c(F)c1OC(F)F
• InChI: InChI=1S/C22H20F7N3O4/c1-8-7-31-13(18(30)33)6-12(8)32-19(34)17-14(9(2)21(3,36-17)22(27,28)29)10-4-5-11(23)15(24)16(10)35-20(25)26/h4-7,9,14,17,20H,1-3H3,(H2,30,33)(H,31,32,34)/t9-,14-,17-,21-/m1/s1
• InChIKey: QGKJGASJJMWMRV-SAHPVPRJSA-N
• XLogP: 4.45
• TPSA: 103.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.41
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide?

The IUPAC name of 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide (CID 169047081) is 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide?

The canonical SMILES for 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide is Cc1cnc(C(N)=O)cc1NC(=O)[C@@H]1O[C@@](C)(C(F)(F)F)[C@H](C)[C@@H]1c1ccc(F)c(F)c1OC(F)F.

What is the InChIKey of 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide?

The InChIKey is QGKJGASJJMWMRV-SAHPVPRJSA-N. The full InChI is InChI=1S/C22H20F7N3O4/c1-8-7-31-13(18(30)33)6-12(8)32-19(34)17-14(9(2)21(3,36-17)22(27,28)29)10-4-5-11(23)15(24)16(10)35-20(25)26/h4-7,9,14,17,20H,1-3H3,(H2,30,33)(H,31,32,34)/t9-,14-,17-,21-/m1/s1.

What are the key properties of 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide?

4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide has a molecular weight of 523.41 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2R,3R,4R,5R)-3-[2-(difluoromethoxy)-3,4-difluorophenyl]-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carbonyl]amino]-5-methylpyridine-2-carboxamide is sourced from PubChem (CID 169047081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).