2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

C24H30N4O3 — CID 56852446

About 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (PubChem CID 56852446) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
• PubChem CID: 56852446
• Molecular Formula: C24H30N4O3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.23
• IUPAC Name: 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
• SMILES: CN(C)c1ccccc1C(=O)NCC1CCC2(CCN(C(=O)c3ccncc3)CC2)O1
• InChI: InChI=1S/C24H30N4O3/c1-27(2)21-6-4-3-5-20(21)22(29)26-17-19-7-10-24(31-19)11-15-28(16-12-24)23(30)18-8-13-25-14-9-18/h3-6,8-9,13-14,19H,7,10-12,15-17H2,1-2H3,(H,26,29)
• InChIKey: AOBPQELSUMYJRC-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?

The IUPAC name of 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (CID 56852446) is 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.

What is the SMILES notation for 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?

The canonical SMILES for 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is CN(C)c1ccccc1C(=O)NCC1CCC2(CCN(C(=O)c3ccncc3)CC2)O1.

What is the InChIKey of 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?

The InChIKey is AOBPQELSUMYJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-27(2)21-6-4-3-5-20(21)22(29)26-17-19-7-10-24(31-19)11-15-28(16-12-24)23(30)18-8-13-25-14-9-18/h3-6,8-9,13-14,19H,7,10-12,15-17H2,1-2H3,(H,26,29).

What are the key properties of 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?

2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is sourced from PubChem (CID 56852446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).