6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide

C23H15F6N3O2 — CID 123679610

About 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide

6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 123679610) has the molecular formula C23H15F6N3O2 and a molecular weight of 479.38 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 123679610
• Molecular Formula: C23H15F6N3O2
• Molecular Weight: 479.38 g/mol
• Exact Mass: 479.11
• IUPAC Name: 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide
• SMILES: O=C(Nc1cnccc1C1(C(F)(F)F)CCC=CO1)c1ccc(F)c(-c2c(F)cccc2F)n1
• InChI: InChI=1S/C23H15F6N3O2/c24-14-4-3-5-15(25)19(14)20-16(26)6-7-17(31-20)21(33)32-18-12-30-10-8-13(18)22(23(27,28)29)9-1-2-11-34-22/h2-8,10-12H,1,9H2,(H,32,33)
• InChIKey: UEBMZUNVKPJCPF-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.38
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide?

The IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide (CID 123679610) is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide?

The canonical SMILES for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cnccc1C1(C(F)(F)F)CCC=CO1)c1ccc(F)c(-c2c(F)cccc2F)n1.

What is the InChIKey of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide?

The InChIKey is UEBMZUNVKPJCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N3O2/c24-14-4-3-5-15(25)19(14)20-16(26)6-7-17(31-20)21(33)32-18-12-30-10-8-13(18)22(23(27,28)29)9-1-2-11-34-22/h2-8,10-12H,1,9H2,(H,32,33).

What are the key properties of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide?

6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 479.38 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 123679610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).