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

C20H21N5OS — CID 70886968

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

1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(6-thiophen-2-yl-2-pyridinyl)urea (PubChem CID 70886968) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(6-thiophen-2-yl-2-pyridinyl)urea.

Molecular Properties

• Compound Name: 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(6-thiophen-2-yl-2-pyridinyl)urea
• PubChem CID: 70886968
• Molecular Formula: C20H21N5OS
• Molecular Weight: 379.49 g/mol
• Exact Mass: 379.15
• IUPAC Name: 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(6-thiophen-2-yl-2-pyridinyl)urea
• SMILES: O=C(NCCc1ccc2c(n1)NCCC2)Nc1cccc(-c2cccs2)n1
• InChI: InChI=1S/C20H21N5OS/c26-20(25-18-7-1-5-16(24-18)17-6-3-13-27-17)22-12-10-15-9-8-14-4-2-11-21-19(14)23-15/h1,3,5-9,13H,2,4,10-12H2,(H,21,23)(H2,22,24,25,26)
• InChIKey: BJNKTHVSLFTQRR-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 78.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.49
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(6-thiophen-2-yl-2-pyridinyl)urea (CID 70886968) is 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(6-thiophen-2-yl-2-pyridinyl)urea.

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

The canonical SMILES for 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(6-thiophen-2-yl-2-pyridinyl)urea is O=C(NCCc1ccc2c(n1)NCCC2)Nc1cccc(-c2cccs2)n1.

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

The InChIKey is BJNKTHVSLFTQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c26-20(25-18-7-1-5-16(24-18)17-6-3-13-27-17)22-12-10-15-9-8-14-4-2-11-21-19(14)23-15/h1,3,5-9,13H,2,4,10-12H2,(H,21,23)(H2,22,24,25,26).

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

1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(6-thiophen-2-yl-2-pyridinyl)urea has a molecular weight of 379.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]-3-(6-thiophen-2-yl-2-pyridinyl)urea is sourced from PubChem (CID 70886968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).