7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide

C24H27FN4O6S — CID 69482763

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide (PubChem CID 69482763) has the molecular formula C24H27FN4O6S and a molecular weight of 518.57 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482763
• Molecular Formula: C24H27FN4O6S
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.16
• IUPAC Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide
• SMILES: CS(=O)(=O)NCCn1c(=O)c(C(=O)NCC2CCCO2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
• InChI: InChI=1S/C24H27FN4O6S/c1-36(33,34)28-8-9-29-19-12-16(11-15-4-6-17(25)7-5-15)13-26-21(19)22(30)20(24(29)32)23(31)27-14-18-3-2-10-35-18/h4-7,12-13,18,28,30H,2-3,8-11,14H2,1H3,(H,27,31)
• InChIKey: YWBRNJLXDKKXPN-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 139.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide (CID 69482763) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide is CS(=O)(=O)NCCn1c(=O)c(C(=O)NCC2CCCO2)c(O)c2ncc(Cc3ccc(F)cc3)cc21.

What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?

The InChIKey is YWBRNJLXDKKXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O6S/c1-36(33,34)28-8-9-29-19-12-16(11-15-4-6-17(25)7-5-15)13-26-21(19)22(30)20(24(29)32)23(31)27-14-18-3-2-10-35-18/h4-7,12-13,18,28,30H,2-3,8-11,14H2,1H3,(H,27,31).

What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide?

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 518.57 g/mol, XLogP of 1.29, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-[2-(methanesulfonamido)ethyl]-2-oxo-N-(oxolan-2-ylmethyl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).