4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid

C24H26N2O4 — CID 146471193

About 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid

4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid (PubChem CID 146471193) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid
• PubChem CID: 146471193
• Molecular Formula: C24H26N2O4
• Molecular Weight: 406.48 g/mol
• Exact Mass: 406.19
• IUPAC Name: 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid
• SMILES: O=C(O)c1cc(-c2ccc([C@H]3CC34CCN(C(=O)C3CCCO3)CC4)cc2)ccn1
• InChI: InChI=1S/C24H26N2O4/c27-22(21-2-1-13-30-21)26-11-8-24(9-12-26)15-19(24)17-5-3-16(4-6-17)18-7-10-25-20(14-18)23(28)29/h3-7,10,14,19,21H,1-2,8-9,11-13,15H2,(H,28,29)/t19-,21?/m1/s1
• InChIKey: FIWVPMBMVQEOOO-YMBRHYMPSA-N
• XLogP: 3.72
• TPSA: 79.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.48
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid?

The IUPAC name of 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid (CID 146471193) is 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid.

What is the SMILES notation for 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid?

The canonical SMILES for 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1cc(-c2ccc([C@H]3CC34CCN(C(=O)C3CCCO3)CC4)cc2)ccn1.

What is the InChIKey of 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid?

The InChIKey is FIWVPMBMVQEOOO-YMBRHYMPSA-N. The full InChI is InChI=1S/C24H26N2O4/c27-22(21-2-1-13-30-21)26-11-8-24(9-12-26)15-19(24)17-5-3-16(4-6-17)18-7-10-25-20(14-18)23(28)29/h3-7,10,14,19,21H,1-2,8-9,11-13,15H2,(H,28,29)/t19-,21?/m1/s1.

What are the key properties of 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid?

4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid has a molecular weight of 406.48 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[(2S)-6-(oxolane-2-carbonyl)-6-azaspiro[2.5]octan-2-yl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 146471193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).