7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide

C24H28FN3O6S — CID 69482034

About 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide (PubChem CID 69482034) has the molecular formula C24H28FN3O6S and a molecular weight of 505.57 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69482034
• Molecular Formula: C24H28FN3O6S
• Molecular Weight: 505.57 g/mol
• Exact Mass: 505.17
• IUPAC Name: 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide
• SMILES: CC(C)S(=O)(=O)CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCO)c1=O
• InChI: InChI=1S/C24H28FN3O6S/c1-15(2)35(33,34)11-8-26-23(31)20-22(30)21-19(28(24(20)32)9-3-10-29)13-17(14-27-21)12-16-4-6-18(25)7-5-16/h4-7,13-15,29-30H,3,8-12H2,1-2H3,(H,26,31)
• InChIKey: SGLFBDCKJJRQGK-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 138.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.57
LogP ≤ 5	1.77
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-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide (CID 69482034) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide is CC(C)S(=O)(=O)CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCO)c1=O.

What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide?

The InChIKey is SGLFBDCKJJRQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O6S/c1-15(2)35(33,34)11-8-26-23(31)20-22(30)21-19(28(24(20)32)9-3-10-29)13-17(14-27-21)12-16-4-6-18(25)7-5-16/h4-7,13-15,29-30H,3,8-12H2,1-2H3,(H,26,31).

What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide?

7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 505.57 g/mol, XLogP of 1.77, 10 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-(3-hydroxypropyl)-2-oxo-N-(2-propan-2-ylsulfonylethyl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).