5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide

C21H23ClN4O2 — CID 131644669

About 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide

5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide (PubChem CID 131644669) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
• PubChem CID: 131644669
• Molecular Formula: C21H23ClN4O2
• Molecular Weight: 398.89 g/mol
• Exact Mass: 398.15
• IUPAC Name: 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
• SMILES: CN(Cc1ccccn1)C(=O)C1CC12CCN(C(=O)Nc1ccc(Cl)cc1)C2
• InChI: InChI=1S/C21H23ClN4O2/c1-25(13-17-4-2-3-10-23-17)19(27)18-12-21(18)9-11-26(14-21)20(28)24-16-7-5-15(22)6-8-16/h2-8,10,18H,9,11-14H2,1H3,(H,24,28)
• InChIKey: BAONUAJLONKQEZ-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.89
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?

The IUPAC name of 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide (CID 131644669) is 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide.

What is the SMILES notation for 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?

The canonical SMILES for 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide is CN(Cc1ccccn1)C(=O)C1CC12CCN(C(=O)Nc1ccc(Cl)cc1)C2.

What is the InChIKey of 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?

The InChIKey is BAONUAJLONKQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-25(13-17-4-2-3-10-23-17)19(27)18-12-21(18)9-11-26(14-21)20(28)24-16-7-5-15(22)6-8-16/h2-8,10,18H,9,11-14H2,1H3,(H,24,28).

What are the key properties of 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide?

5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-(4-chlorophenyl)-2-N-methyl-2-N-(pyridin-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide is sourced from PubChem (CID 131644669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).