N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

C22H27N3O4 — CID 71715581

About N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide

N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 71715581) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 71715581
• Molecular Formula: C22H27N3O4
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.20
• IUPAC Name: N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide
• SMILES: O=C(NCC1CC12CCN(C(=O)C1CCOCC1)CC2)c1cc2ccncc2o1
• InChI: InChI=1S/C22H27N3O4/c26-20(18-11-16-1-6-23-14-19(16)29-18)24-13-17-12-22(17)4-7-25(8-5-22)21(27)15-2-9-28-10-3-15/h1,6,11,14-15,17H,2-5,7-10,12-13H2,(H,24,26)
• InChIKey: JWPZRKFEMCCUPS-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 84.67 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	397.48
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide (CID 71715581) is N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is O=C(NCC1CC12CCN(C(=O)C1CCOCC1)CC2)c1cc2ccncc2o1.

What is the InChIKey of N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

The InChIKey is JWPZRKFEMCCUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-20(18-11-16-1-6-23-14-19(16)29-18)24-13-17-12-22(17)4-7-25(8-5-22)21(27)15-2-9-28-10-3-15/h1,6,11,14-15,17H,2-5,7-10,12-13H2,(H,24,26).

What are the key properties of N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide?

N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(oxane-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 71715581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).