N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide

C27H29N3O3 — CID 45215279

About N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide

N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 45215279) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 45215279
• Molecular Formula: C27H29N3O3
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.22
• IUPAC Name: N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
• SMILES: O=C(NCC1CCC2(CCN(C(=O)Cc3ccc4ccccc4c3)CC2)O1)c1ccccn1
• InChI: InChI=1S/C27H29N3O3/c31-25(18-20-8-9-21-5-1-2-6-22(21)17-20)30-15-12-27(13-16-30)11-10-23(33-27)19-29-26(32)24-7-3-4-14-28-24/h1-9,14,17,23H,10-13,15-16,18-19H2,(H,29,32)
• InChIKey: CVYYZHACDHPRET-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide (CID 45215279) is N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide is O=C(NCC1CCC2(CCN(C(=O)Cc3ccc4ccccc4c3)CC2)O1)c1ccccn1.

What is the InChIKey of N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?

The InChIKey is CVYYZHACDHPRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c31-25(18-20-8-9-21-5-1-2-6-22(21)17-20)30-15-12-27(13-16-30)11-10-23(33-27)19-29-26(32)24-7-3-4-14-28-24/h1-9,14,17,23H,10-13,15-16,18-19H2,(H,29,32).

What are the key properties of N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?

N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[8-(2-naphthalen-2-ylacetyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 45215279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).