2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C24H28FN3O3 — CID 91924968

About 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924968) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• PubChem CID: 91924968
• Molecular Formula: C24H28FN3O3
• Molecular Weight: 425.50 g/mol
• Exact Mass: 425.21
• IUPAC Name: 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
• SMILES: Cc1ccc(C(=O)N2CC(C(=O)NCCc3ccncc3)C3(CCOCC3)C2)cc1F
• InChI: InChI=1S/C24H28FN3O3/c1-17-2-3-19(14-21(17)25)23(30)28-15-20(24(16-28)7-12-31-13-8-24)22(29)27-11-6-18-4-9-26-10-5-18/h2-5,9-10,14,20H,6-8,11-13,15-16H2,1H3,(H,27,29)
• InChIKey: GXAXJIDRLKRUTH-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.50
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The IUPAC name of 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924968) is 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

What is the SMILES notation for 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The canonical SMILES for 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(C(=O)N2CC(C(=O)NCCc3ccncc3)C3(CCOCC3)C2)cc1F.

What is the InChIKey of 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

The InChIKey is GXAXJIDRLKRUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-17-2-3-19(14-21(17)25)23(30)28-15-20(24(16-28)7-12-31-13-8-24)22(29)27-11-6-18-4-9-26-10-5-18/h2-5,9-10,14,20H,6-8,11-13,15-16H2,1H3,(H,27,29).

What are the key properties of 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?

2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).