4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

C22H25N3O4 — CID 109085777

About 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109085777) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
• PubChem CID: 109085777
• Molecular Formula: C22H25N3O4
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.18
• IUPAC Name: 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
• SMILES: Cc1cccc(CNC(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)ccn2)c1
• InChI: InChI=1S/C22H25N3O4/c1-16-3-2-4-17(13-16)15-24-20(26)19-14-18(5-8-23-19)21(27)25-9-6-22(7-10-25)28-11-12-29-22/h2-5,8,13-14H,6-7,9-12,15H2,1H3,(H,24,26)
• InChIKey: MNQWBQHMXFWJKM-UHFFFAOYSA-N
• XLogP: 2.30
• TPSA: 80.76 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	395.46
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?

The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (CID 109085777) is 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?

The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is Cc1cccc(CNC(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)ccn2)c1.

What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?

The InChIKey is MNQWBQHMXFWJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-16-3-2-4-17(13-16)15-24-20(26)19-14-18(5-8-23-19)21(27)25-9-6-22(7-10-25)28-11-12-29-22/h2-5,8,13-14H,6-7,9-12,15H2,1H3,(H,24,26).

What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?

4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109085777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).