6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide

C23H29N3O3 — CID 109159986

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 109159986) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
• PubChem CID: 109159986
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide
• SMILES: Cc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCC3(CC2)OCCO3)nc1
• InChI: InChI=1S/C23H29N3O3/c1-16(2)19-6-4-5-17(3)21(19)25-22(27)18-7-8-20(24-15-18)26-11-9-23(10-12-26)28-13-14-29-23/h4-8,15-16H,9-14H2,1-3H3,(H,25,27)
• InChIKey: SJGGTAYTCNFALD-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide?

The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide (CID 109159986) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide?

The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1ccc(N2CCC3(CC2)OCCO3)nc1.

What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide?

The InChIKey is SJGGTAYTCNFALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16(2)19-6-4-5-17(3)21(19)25-22(27)18-7-8-20(24-15-18)26-11-9-23(10-12-26)28-13-14-29-23/h4-8,15-16H,9-14H2,1-3H3,(H,25,27).

What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide?

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109159986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).