5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide

C17H23N3O5S — CID 109193035

About 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide (PubChem CID 109193035) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
• PubChem CID: 109193035
• Molecular Formula: C17H23N3O5S
• Molecular Weight: 381.45 g/mol
• Exact Mass: 381.14
• IUPAC Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide
• SMILES: O=C(NC1CCS(=O)(=O)C1)c1ccc(N2CCC3(CC2)OCCO3)cn1
• InChI: InChI=1S/C17H23N3O5S/c21-16(19-13-3-10-26(22,23)12-13)15-2-1-14(11-18-15)20-6-4-17(5-7-20)24-8-9-25-17/h1-2,11,13H,3-10,12H2,(H,19,21)
• InChIKey: LWBUHPKUVFNZAW-UHFFFAOYSA-N
• XLogP: 0.34
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.45
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?

The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide (CID 109193035) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide.

What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?

The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1ccc(N2CCC3(CC2)OCCO3)cn1.

What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?

The InChIKey is LWBUHPKUVFNZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c21-16(19-13-3-10-26(22,23)12-13)15-2-1-14(11-18-15)20-6-4-17(5-7-20)24-8-9-25-17/h1-2,11,13H,3-10,12H2,(H,19,21).

What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide?

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109193035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).