1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea

C28H24N6O3 — CID 58396855

About 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea

1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea (PubChem CID 58396855) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea
• PubChem CID: 58396855
• Molecular Formula: C28H24N6O3
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.19
• IUPAC Name: 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea
• SMILES: CCc1ncnc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3OC)c3ccccc23)n1
• InChI: InChI=1S/C28H24N6O3/c1-3-25-30-17-31-26(34-25)20-11-8-16-29-27(20)37-23-15-14-21(18-9-4-5-10-19(18)23)32-28(35)33-22-12-6-7-13-24(22)36-2/h4-17H,3H2,1-2H3,(H2,32,33,35)
• InChIKey: DSJCXXAXASQBBQ-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 111.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea?

The IUPAC name of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea (CID 58396855) is 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea.

What is the SMILES notation for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea?

The canonical SMILES for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea is CCc1ncnc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3OC)c3ccccc23)n1.

What is the InChIKey of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea?

The InChIKey is DSJCXXAXASQBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c1-3-25-30-17-31-26(34-25)20-11-8-16-29-27(20)37-23-15-14-21(18-9-4-5-10-19(18)23)32-28(35)33-22-12-6-7-13-24(22)36-2/h4-17H,3H2,1-2H3,(H2,32,33,35).

What are the key properties of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea?

1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 492.54 g/mol, XLogP of 6.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]naphthalen-1-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 58396855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).