cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

C20H20N4O2S — CID 31162028

About cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone

cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (PubChem CID 31162028) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.

Molecular Properties

• Compound Name: cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
• PubChem CID: 31162028
• Molecular Formula: C20H20N4O2S
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.13
• IUPAC Name: cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
• SMILES: Cc1ncc2c(c1-c1noc(-c3cccs3)n1)CCN(C(=O)C1CCC1)C2
• InChI: InChI=1S/C20H20N4O2S/c1-12-17(18-22-19(26-23-18)16-6-3-9-27-16)15-7-8-24(11-14(15)10-21-12)20(25)13-4-2-5-13/h3,6,9-10,13H,2,4-5,7-8,11H2,1H3
• InChIKey: HQVUEYRWKBKMLA-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 72.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?

The IUPAC name of cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone (CID 31162028) is cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone.

What is the SMILES notation for cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?

The canonical SMILES for cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is Cc1ncc2c(c1-c1noc(-c3cccs3)n1)CCN(C(=O)C1CCC1)C2.

What is the InChIKey of cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?

The InChIKey is HQVUEYRWKBKMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12-17(18-22-19(26-23-18)16-6-3-9-27-16)15-7-8-24(11-14(15)10-21-12)20(25)13-4-2-5-13/h3,6,9-10,13H,2,4-5,7-8,11H2,1H3.

What are the key properties of cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone?

cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone has a molecular weight of 380.47 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclobutyl-[6-methyl-5-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone is sourced from PubChem (CID 31162028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).