5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C19H22N4O3 — CID 109191186

About 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191186) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
• PubChem CID: 109191186
• Molecular Formula: C19H22N4O3
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.17
• IUPAC Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
• SMILES: O=C(NCc1cccnc1)c1ccc(N2CCC3(CC2)OCCO3)cn1
• InChI: InChI=1S/C19H22N4O3/c24-18(22-13-15-2-1-7-20-12-15)17-4-3-16(14-21-17)23-8-5-19(6-9-23)25-10-11-26-19/h1-4,7,12,14H,5-6,8-11,13H2,(H,22,24)
• InChIKey: HFISWCGWDWUHEM-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?

The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109191186) is 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?

The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccnc1)c1ccc(N2CCC3(CC2)OCCO3)cn1.

What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?

The InChIKey is HFISWCGWDWUHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(22-13-15-2-1-7-20-12-15)17-4-3-16(14-21-17)23-8-5-19(6-9-23)25-10-11-26-19/h1-4,7,12,14H,5-6,8-11,13H2,(H,22,24).

What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?

5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).