6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide

C20H28N4O3 — CID 172661634

About 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide

6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide (PubChem CID 172661634) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
• PubChem CID: 172661634
• Molecular Formula: C20H28N4O3
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.22
• IUPAC Name: 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide
• SMILES: Cc1ccc(C(N)=O)c(N2CCC3(CC2)CC(CN2CCCC2)OC3=O)n1
• InChI: InChI=1S/C20H28N4O3/c1-14-4-5-16(17(21)25)18(22-14)24-10-6-20(7-11-24)12-15(27-19(20)26)13-23-8-2-3-9-23/h4-5,15H,2-3,6-13H2,1H3,(H2,21,25)
• InChIKey: SGOXCIVTRWKMHH-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 88.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?

The IUPAC name of 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide (CID 172661634) is 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide is Cc1ccc(C(N)=O)c(N2CCC3(CC2)CC(CN2CCCC2)OC3=O)n1.

What is the InChIKey of 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?

The InChIKey is SGOXCIVTRWKMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-4-5-16(17(21)25)18(22-14)24-10-6-20(7-11-24)12-15(27-19(20)26)13-23-8-2-3-9-23/h4-5,15H,2-3,6-13H2,1H3,(H2,21,25).

What are the key properties of 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide?

6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[1-oxo-3-(pyrrolidin-1-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 172661634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).