N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide

C20H24N4O2 — CID 97474442

About N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide

N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide (PubChem CID 97474442) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
• PubChem CID: 97474442
• Molecular Formula: C20H24N4O2
• Molecular Weight: 352.44 g/mol
• Exact Mass: 352.19
• IUPAC Name: N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
• SMILES: O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccccn3)C2)C1)c1ccncc1
• InChI: InChI=1S/C20H24N4O2/c25-19(16-4-9-21-10-5-16)23-17-6-12-26-20(13-17)7-11-24(15-20)14-18-3-1-2-8-22-18/h1-5,8-10,17H,6-7,11-15H2,(H,23,25)/t17-,20-/m1/s1
• InChIKey: QAUSUTRNKHKXNH-YLJYHZDGSA-N
• XLogP: 2.03
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.44
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?

The IUPAC name of N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide (CID 97474442) is N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide is O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccccn3)C2)C1)c1ccncc1.

What is the InChIKey of N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?

The InChIKey is QAUSUTRNKHKXNH-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(16-4-9-21-10-5-16)23-17-6-12-26-20(13-17)7-11-24(15-20)14-18-3-1-2-8-22-18/h1-5,8-10,17H,6-7,11-15H2,(H,23,25)/t17-,20-/m1/s1.

What are the key properties of N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide?

N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5R,9R)-2-(pyridin-2-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide is sourced from PubChem (CID 97474442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).