6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide

C24H24FN3O2 — CID 11338680

About 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide

6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide (PubChem CID 11338680) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
• PubChem CID: 11338680
• Molecular Formula: C24H24FN3O2
• Molecular Weight: 405.47 g/mol
• Exact Mass: 405.19
• IUPAC Name: 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide
• SMILES: NC(=O)c1ccc(Oc2cccc3c2CCCC3NCCc2cccc(F)c2)nc1
• InChI: InChI=1S/C24H24FN3O2/c25-18-5-1-4-16(14-18)12-13-27-21-8-2-7-20-19(21)6-3-9-22(20)30-23-11-10-17(15-28-23)24(26)29/h1,3-6,9-11,14-15,21,27H,2,7-8,12-13H2,(H2,26,29)
• InChIKey: XLYJEOWFMHQFLY-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.47
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?

The IUPAC name of 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide (CID 11338680) is 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide.

What is the SMILES notation for 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?

The canonical SMILES for 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2cccc3c2CCCC3NCCc2cccc(F)c2)nc1.

What is the InChIKey of 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?

The InChIKey is XLYJEOWFMHQFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O2/c25-18-5-1-4-16(14-18)12-13-27-21-8-2-7-20-19(21)6-3-9-22(20)30-23-11-10-17(15-28-23)24(26)29/h1,3-6,9-11,14-15,21,27H,2,7-8,12-13H2,(H2,26,29).

What are the key properties of 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide?

6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-[2-(3-fluorophenyl)ethylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]pyridine-3-carboxamide is sourced from PubChem (CID 11338680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).