N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide

C22H25N3O4 — CID 109088616

About N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide

N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide (PubChem CID 109088616) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
• PubChem CID: 109088616
• Molecular Formula: C22H25N3O4
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.18
• IUPAC Name: N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
• SMILES: Cc1ccc(C)c(NC(=O)c2ccnc(C(=O)N3CCC4(CC3)OCCO4)c2)c1
• InChI: InChI=1S/C22H25N3O4/c1-15-3-4-16(2)18(13-15)24-20(26)17-5-8-23-19(14-17)21(27)25-9-6-22(7-10-25)28-11-12-29-22/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H,24,26)
• InChIKey: YDOYFVBQDVZVDJ-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide (CID 109088616) is N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide.

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

The canonical SMILES for N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide is Cc1ccc(C)c(NC(=O)c2ccnc(C(=O)N3CCC4(CC3)OCCO4)c2)c1.

What is the InChIKey of N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide?

The InChIKey is YDOYFVBQDVZVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15-3-4-16(2)18(13-15)24-20(26)17-5-8-23-19(14-17)21(27)25-9-6-22(7-10-25)28-11-12-29-22/h3-5,8,13-14H,6-7,9-12H2,1-2H3,(H,24,26).

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

N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109088616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).