1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C22H14F8N4O4 — CID 148690995

About 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide

1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 148690995) has the molecular formula C22H14F8N4O4 and a molecular weight of 550.36 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 148690995
• Molecular Formula: C22H14F8N4O4
• Molecular Weight: 550.36 g/mol
• Exact Mass: 550.09
• IUPAC Name: 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(NC(C(F)(F)F)C(F)(F)F)c1cn(-c2ncc(F)cc2F)c2nc(C3C[C@@H](O)CC3=O)ccc2c1=O
• InChI: InChI=1S/C22H14F8N4O4/c23-8-3-13(24)18(31-6-8)34-7-12(19(38)33-20(21(25,26)27)22(28,29)30)16(37)10-1-2-14(32-17(10)34)11-4-9(35)5-15(11)36/h1-3,6-7,9,11,20,35H,4-5H2,(H,33,38)/t9-,11?/m1/s1
• InChIKey: NTLXZLNKVMCNPN-BFHBGLAWSA-N
• XLogP: 3.09
• TPSA: 114.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.36
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 148690995) is 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC(C(F)(F)F)C(F)(F)F)c1cn(-c2ncc(F)cc2F)c2nc(C3C[C@@H](O)CC3=O)ccc2c1=O.

What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is NTLXZLNKVMCNPN-BFHBGLAWSA-N. The full InChI is InChI=1S/C22H14F8N4O4/c23-8-3-13(24)18(31-6-8)34-7-12(19(38)33-20(21(25,26)27)22(28,29)30)16(37)10-1-2-14(32-17(10)34)11-4-9(35)5-15(11)36/h1-3,6-7,9,11,20,35H,4-5H2,(H,33,38)/t9-,11?/m1/s1.

What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 550.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-difluoro-2-pyridinyl)-N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-7-[(4R)-4-hydroxy-2-oxocyclopentyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 148690995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).