6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid

C22H26N4O3 — CID 72862263

About 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid

6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid (PubChem CID 72862263) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid
• PubChem CID: 72862263
• Molecular Formula: C22H26N4O3
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.20
• IUPAC Name: 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid
• SMILES: O=C(O)c1cccc(N2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)n1
• InChI: InChI=1S/C22H26N4O3/c27-20-7-9-22(16-26(20)13-8-17-4-1-2-12-23-17)10-14-25(15-11-22)19-6-3-5-18(24-19)21(28)29/h1-6,12H,7-11,13-16H2,(H,28,29)
• InChIKey: DXWNXAKDRACVHF-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 86.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid?

The IUPAC name of 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid (CID 72862263) is 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid?

The canonical SMILES for 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)n1.

What is the InChIKey of 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid?

The InChIKey is DXWNXAKDRACVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-20-7-9-22(16-26(20)13-8-17-4-1-2-12-23-17)10-14-25(15-11-22)19-6-3-5-18(24-19)21(28)29/h1-6,12H,7-11,13-16H2,(H,28,29).

What are the key properties of 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid?

6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid has a molecular weight of 394.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-oxo-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72862263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).