6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide

C26H39N3O3Si — CID 59730104

About 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide

6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 59730104) has the molecular formula C26H39N3O3Si and a molecular weight of 469.70 g/mol. Its IUPAC name is 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide
• PubChem CID: 59730104
• Molecular Formula: C26H39N3O3Si
• Molecular Weight: 469.70 g/mol
• Exact Mass: 469.28
• IUPAC Name: 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide
• SMILES: CC(C)(C)[Si](C)(C)OC1CCCC(NCCc2ccc(Oc3ccc(C(N)=O)cn3)cc2)C1
• InChI: InChI=1S/C26H39N3O3Si/c1-26(2,3)33(4,5)32-23-8-6-7-21(17-23)28-16-15-19-9-12-22(13-10-19)31-24-14-11-20(18-29-24)25(27)30/h9-14,18,21,23,28H,6-8,15-17H2,1-5H3,(H2,27,30)
• InChIKey: FTNRQBULPVTXKG-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 86.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.70
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide?

The IUPAC name of 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide (CID 59730104) is 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide is CC(C)(C)[Si](C)(C)OC1CCCC(NCCc2ccc(Oc3ccc(C(N)=O)cn3)cc2)C1.

What is the InChIKey of 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide?

The InChIKey is FTNRQBULPVTXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3Si/c1-26(2,3)33(4,5)32-23-8-6-7-21(17-23)28-16-15-19-9-12-22(13-10-19)31-24-14-11-20(18-29-24)25(27)30/h9-14,18,21,23,28H,6-8,15-17H2,1-5H3,(H2,27,30).

What are the key properties of 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide?

6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 469.70 g/mol, XLogP of 5.44, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[[3-[tert-butyl(dimethyl)silyl]oxycyclohexyl]amino]ethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59730104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).