(2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C23H27N3O4 — CID 124913655

About (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

(2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 124913655) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

• Compound Name: (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
• PubChem CID: 124913655
• Molecular Formula: C23H27N3O4
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.20
• IUPAC Name: (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
• SMILES: C[C@@H]1CN(C(=O)COc2ccccc2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2
• InChI: InChI=1S/C23H27N3O4/c1-17-15-26(21(27)16-29-19-7-3-2-4-8-19)13-11-23(17)10-9-20(30-23)22(28)25-18-6-5-12-24-14-18/h2-8,12,14,17,20H,9-11,13,15-16H2,1H3,(H,25,28)/t17-,20+,23+/m1/s1
• InChIKey: UWCWVEQIGCQHQL-MONBJTKQSA-N
• XLogP: 2.89
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?

The IUPAC name of (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 124913655) is (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

What is the SMILES notation for (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?

The canonical SMILES for (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is C[C@@H]1CN(C(=O)COc2ccccc2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2.

What is the InChIKey of (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?

The InChIKey is UWCWVEQIGCQHQL-MONBJTKQSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-17-15-26(21(27)16-29-19-7-3-2-4-8-19)13-11-23(17)10-9-20(30-23)22(28)25-18-6-5-12-24-14-18/h2-8,12,14,17,20H,9-11,13,15-16H2,1H3,(H,25,28)/t17-,20+,23+/m1/s1.

What are the key properties of (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?

(2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 124913655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).