1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide

C24H22F7N5O4 — CID 139367758

About 1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide

1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 139367758) has the molecular formula C24H22F7N5O4 and a molecular weight of 577.46 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
• PubChem CID: 139367758
• Molecular Formula: C24H22F7N5O4
• Molecular Weight: 577.46 g/mol
• Exact Mass: 577.16
• IUPAC Name: 1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
• SMILES: CC(NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CCC(O)(CO)CC3)ccc2c1=O)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C24H22F7N5O4/c1-12(23(27,28)24(29,30)31)33-21(39)15-10-36(20-16(26)8-13(25)9-32-20)19-14(18(15)38)2-3-17(34-19)35-6-4-22(40,11-37)5-7-35/h2-3,8-10,12,37,40H,4-7,11H2,1H3,(H,33,39)
• InChIKey: MGWFFHWFTUVCRK-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 120.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.46
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide (CID 139367758) is 1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide.

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

The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide is CC(NC(=O)c1cn(-c2ncc(F)cc2F)c2nc(N3CCC(O)(CO)CC3)ccc2c1=O)C(F)(F)C(F)(F)F.

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

The InChIKey is MGWFFHWFTUVCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F7N5O4/c1-12(23(27,28)24(29,30)31)33-21(39)15-10-36(20-16(26)8-13(25)9-32-20)19-14(18(15)38)2-3-17(34-19)35-6-4-22(40,11-37)5-7-35/h2-3,8-10,12,37,40H,4-7,11H2,1H3,(H,33,39).

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

1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 577.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-difluoro-2-pyridinyl)-7-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-4-oxo-N-(3,3,4,4,4-pentafluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 139367758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).