1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

C17H18F2N4O — CID 71590230

About 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 71590230) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
• PubChem CID: 71590230
• Molecular Formula: C17H18F2N4O
• Molecular Weight: 332.35 g/mol
• Exact Mass: 332.14
• IUPAC Name: 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
• SMILES: O=C(NCCc1ccc2c(n1)NCCC2)Nc1c(F)cccc1F
• InChI: InChI=1S/C17H18F2N4O/c18-13-4-1-5-14(19)15(13)23-17(24)21-10-8-12-7-6-11-3-2-9-20-16(11)22-12/h1,4-7H,2-3,8-10H2,(H,20,22)(H2,21,23,24)
• InChIKey: NBBVPVBXKJRQGP-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 66.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.35
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

The IUPAC name of 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 71590230) is 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

The canonical SMILES for 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is O=C(NCCc1ccc2c(n1)NCCC2)Nc1c(F)cccc1F.

What is the InChIKey of 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

The InChIKey is NBBVPVBXKJRQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c18-13-4-1-5-14(19)15(13)23-17(24)21-10-8-12-7-6-11-3-2-9-20-16(11)22-12/h1,4-7H,2-3,8-10H2,(H,20,22)(H2,21,23,24).

What are the key properties of 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?

1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 332.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 71590230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).