6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid

C20H20FN3O4 — CID 56881635

About 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid

6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid (PubChem CID 56881635) has the molecular formula C20H20FN3O4 and a molecular weight of 385.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid
• PubChem CID: 56881635
• Molecular Formula: C20H20FN3O4
• Molecular Weight: 385.40 g/mol
• Exact Mass: 385.14
• IUPAC Name: 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid
• SMILES: CN1CC2(CCCN(c3nc(-c4ccc(F)cc4)ccc3C(=O)O)C2)OC1=O
• InChI: InChI=1S/C20H20FN3O4/c1-23-11-20(28-19(23)27)9-2-10-24(12-20)17-15(18(25)26)7-8-16(22-17)13-3-5-14(21)6-4-13/h3-8H,2,9-12H2,1H3,(H,25,26)
• InChIKey: GXXYDWRFVUFZAI-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 82.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.40
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid?

The IUPAC name of 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid (CID 56881635) is 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid.

What is the SMILES notation for 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid?

The canonical SMILES for 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid is CN1CC2(CCCN(c3nc(-c4ccc(F)cc4)ccc3C(=O)O)C2)OC1=O.

What is the InChIKey of 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid?

The InChIKey is GXXYDWRFVUFZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4/c1-23-11-20(28-19(23)27)9-2-10-24(12-20)17-15(18(25)26)7-8-16(22-17)13-3-5-14(21)6-4-13/h3-8H,2,9-12H2,1H3,(H,25,26).

What are the key properties of 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid?

6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid has a molecular weight of 385.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-fluorophenyl)-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 56881635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).