7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C21H24N4O2 — CID 131651861

About 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 131651861) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 131651861
• Molecular Formula: C21H24N4O2
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.19
• IUPAC Name: 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: Cc1ccc(CN2CCC3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1
• InChI: InChI=1S/C21H24N4O2/c1-16-4-6-17(7-5-16)14-25-10-8-21(15-25)11-19(24-27-21)20(26)23-13-18-3-2-9-22-12-18/h2-7,9,12H,8,10-11,13-15H2,1H3,(H,23,26)
• InChIKey: FUYDIBUFWGLGJU-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 66.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 131651861) is 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1ccc(CN2CCC3(CC(C(=O)NCc4cccnc4)=NO3)C2)cc1.

What is the InChIKey of 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is FUYDIBUFWGLGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-4-6-17(7-5-16)14-25-10-8-21(15-25)11-19(24-27-21)20(26)23-13-18-3-2-9-22-12-18/h2-7,9,12H,8,10-11,13-15H2,1H3,(H,23,26).

What are the key properties of 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 131651861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).