6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide

C21H30N4O2 — CID 155880870

About 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide

6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide (PubChem CID 155880870) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide
• PubChem CID: 155880870
• Molecular Formula: C21H30N4O2
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.24
• IUPAC Name: 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide
• SMILES: O=C(NCc1ccccn1)C1CN(C(=O)NC2CCCCC2)CC12CCC2
• InChI: InChI=1S/C21H30N4O2/c26-19(23-13-17-9-4-5-12-22-17)18-14-25(15-21(18)10-6-11-21)20(27)24-16-7-2-1-3-8-16/h4-5,9,12,16,18H,1-3,6-8,10-11,13-15H2,(H,23,26)(H,24,27)
• InChIKey: NURRLPKUYYCPJQ-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide?

The IUPAC name of 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide (CID 155880870) is 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide.

What is the SMILES notation for 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide?

The canonical SMILES for 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide is O=C(NCc1ccccn1)C1CN(C(=O)NC2CCCCC2)CC12CCC2.

What is the InChIKey of 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide?

The InChIKey is NURRLPKUYYCPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c26-19(23-13-17-9-4-5-12-22-17)18-14-25(15-21(18)10-6-11-21)20(27)24-16-7-2-1-3-8-16/h4-5,9,12,16,18H,1-3,6-8,10-11,13-15H2,(H,23,26)(H,24,27).

What are the key properties of 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide?

6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide is sourced from PubChem (CID 155880870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).