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

C21H25N3O5 — CID 109193937

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

N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide (PubChem CID 109193937) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
• PubChem CID: 109193937
• Molecular Formula: C21H25N3O5
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.18
• IUPAC Name: N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
• SMILES: COc1ccc(OC)c(NC(=O)c2ccc(N3CCC4(CC3)OCCO4)cn2)c1
• InChI: InChI=1S/C21H25N3O5/c1-26-16-4-6-19(27-2)18(13-16)23-20(25)17-5-3-15(14-22-17)24-9-7-21(8-10-24)28-11-12-29-21/h3-6,13-14H,7-12H2,1-2H3,(H,23,25)
• InChIKey: XVOLNSHGCDFXCH-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 82.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide (CID 109193937) is N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide.

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

The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc(N3CCC4(CC3)OCCO4)cn2)c1.

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

The InChIKey is XVOLNSHGCDFXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-26-16-4-6-19(27-2)18(13-16)23-20(25)17-5-3-15(14-22-17)24-9-7-21(8-10-24)28-11-12-29-21/h3-6,13-14H,7-12H2,1-2H3,(H,23,25).

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

N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109193937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).