7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide

C21H18FN5O4 — CID 135869555

About 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide

7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide (PubChem CID 135869555) has the molecular formula C21H18FN5O4 and a molecular weight of 423.40 g/mol. Its IUPAC name is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide.

Molecular Properties

• Compound Name: 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide
• PubChem CID: 135869555
• Molecular Formula: C21H18FN5O4
• Molecular Weight: 423.40 g/mol
• Exact Mass: 423.13
• IUPAC Name: 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide
• SMILES: COCCNC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
• InChI: InChI=1S/C21H18FN5O4/c1-30-10-9-24-20(29)17-14-3-2-8-23-16(14)19(28)18(25-17)21-27-26-15(31-21)11-12-4-6-13(22)7-5-12/h2-8,28H,9-11H2,1H3,(H,24,29)
• InChIKey: FSBQOFVRWDUTSZ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 123.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.40
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide?

The IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide (CID 135869555) is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide.

What is the SMILES notation for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide?

The canonical SMILES for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide is COCCNC(=O)c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12.

What is the InChIKey of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide?

The InChIKey is FSBQOFVRWDUTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4/c1-30-10-9-24-20(29)17-14-3-2-8-23-16(14)19(28)18(25-17)21-27-26-15(31-21)11-12-4-6-13(22)7-5-12/h2-8,28H,9-11H2,1H3,(H,24,29).

What are the key properties of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide?

7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 135869555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).