N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide

C26H33N3O6 — CID 42499867

About N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide

N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 42499867) has the molecular formula C26H33N3O6 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 42499867
• Molecular Formula: C26H33N3O6
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.24
• IUPAC Name: N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
• SMILES: COc1cc(CC(=O)N2CCC3(CC[C@H](CNC(=O)c4ccccn4)O3)CC2)cc(OC)c1OC
• InChI: InChI=1S/C26H33N3O6/c1-32-21-14-18(15-22(33-2)24(21)34-3)16-23(30)29-12-9-26(10-13-29)8-7-19(35-26)17-28-25(31)20-6-4-5-11-27-20/h4-6,11,14-15,19H,7-10,12-13,16-17H2,1-3H3,(H,28,31)/t19-/m1/s1
• InChIKey: BPROHQPCFYGTJO-LJQANCHMSA-N
• XLogP: 2.62
• TPSA: 99.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide (CID 42499867) is N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide is COc1cc(CC(=O)N2CCC3(CC[C@H](CNC(=O)c4ccccn4)O3)CC2)cc(OC)c1OC.

What is the InChIKey of N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?

The InChIKey is BPROHQPCFYGTJO-LJQANCHMSA-N. The full InChI is InChI=1S/C26H33N3O6/c1-32-21-14-18(15-22(33-2)24(21)34-3)16-23(30)29-12-9-26(10-13-29)8-7-19(35-26)17-28-25(31)20-6-4-5-11-27-20/h4-6,11,14-15,19H,7-10,12-13,16-17H2,1-3H3,(H,28,31)/t19-/m1/s1.

What are the key properties of N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide?

N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-8-[2-(3,4,5-trimethoxyphenyl)acetyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 42499867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).