2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid

C23H25FN4O5 — CID 69482559

About 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid

2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid (PubChem CID 69482559) has the molecular formula C23H25FN4O5 and a molecular weight of 456.47 g/mol. Its IUPAC name is 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid.

Molecular Properties

• Compound Name: 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid
• PubChem CID: 69482559
• Molecular Formula: C23H25FN4O5
• Molecular Weight: 456.47 g/mol
• Exact Mass: 456.18
• IUPAC Name: 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid
• SMILES: CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN(C)C(=O)O)c1=O
• InChI: InChI=1S/C23H25FN4O5/c1-3-8-25-21(30)18-20(29)19-17(28(22(18)31)10-9-27(2)23(32)33)12-15(13-26-19)11-14-4-6-16(24)7-5-14/h4-7,12-13,29H,3,8-11H2,1-2H3,(H,25,30)(H,32,33)
• InChIKey: JJIUKLICIVCHRM-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 124.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.47
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid?

The IUPAC name of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid (CID 69482559) is 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid.

What is the SMILES notation for 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid?

The canonical SMILES for 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid is CCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN(C)C(=O)O)c1=O.

What is the InChIKey of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid?

The InChIKey is JJIUKLICIVCHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O5/c1-3-8-25-21(30)18-20(29)19-17(28(22(18)31)10-9-27(2)23(32)33)12-15(13-26-19)11-14-4-6-16(24)7-5-14/h4-7,12-13,29H,3,8-11H2,1-2H3,(H,25,30)(H,32,33).

What are the key properties of 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid?

2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid has a molecular weight of 456.47 g/mol, XLogP of 2.58, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3-(propylcarbamoyl)-1,5-naphthyridin-1-yl]ethyl-methylcarbamic acid is sourced from PubChem (CID 69482559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).