N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide

C27H29N3O3 — CID 143500933

About N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide

N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide (PubChem CID 143500933) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide
• PubChem CID: 143500933
• Molecular Formula: C27H29N3O3
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.22
• IUPAC Name: N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide
• SMILES: CN1[C@@H]2CC[C@@H]1CC(Oc1cccc(CNC(=O)c3ccc(Oc4ccccc4)nc3)c1)C2
• InChI: InChI=1S/C27H29N3O3/c1-30-21-11-12-22(30)16-25(15-21)32-24-9-5-6-19(14-24)17-29-27(31)20-10-13-26(28-18-20)33-23-7-3-2-4-8-23/h2-10,13-14,18,21-22,25H,11-12,15-17H2,1H3,(H,29,31)/t21-,22-/m1/s1
• InChIKey: YPSFRQOFIOSVTD-FGZHOGPDSA-N
• XLogP: 4.81
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide?

The IUPAC name of N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide (CID 143500933) is N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide.

What is the SMILES notation for N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide?

The canonical SMILES for N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide is CN1[C@@H]2CC[C@@H]1CC(Oc1cccc(CNC(=O)c3ccc(Oc4ccccc4)nc3)c1)C2.

What is the InChIKey of N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide?

The InChIKey is YPSFRQOFIOSVTD-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-30-21-11-12-22(30)16-25(15-21)32-24-9-5-6-19(14-24)17-29-27(31)20-10-13-26(28-18-20)33-23-7-3-2-4-8-23/h2-10,13-14,18,21-22,25H,11-12,15-17H2,1H3,(H,29,31)/t21-,22-/m1/s1.

What are the key properties of N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide?

N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 143500933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).