[3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate

C19H20F3N3O2 — CID 46209317

About [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate

[3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate (PubChem CID 46209317) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
• PubChem CID: 46209317
• Molecular Formula: C19H20F3N3O2
• Molecular Weight: 379.38 g/mol
• Exact Mass: 379.15
• IUPAC Name: [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
• SMILES: CN(CCc1ccc2c(n1)NCCC2)C(=O)Oc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C19H20F3N3O2/c1-25(11-9-15-8-7-13-4-3-10-23-17(13)24-15)18(26)27-16-6-2-5-14(12-16)19(20,21)22/h2,5-8,12H,3-4,9-11H2,1H3,(H,23,24)
• InChIKey: UGLSNBVJKOFVKS-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.38
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate?

The IUPAC name of [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate (CID 46209317) is [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate.

What is the SMILES notation for [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate?

The canonical SMILES for [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate is CN(CCc1ccc2c(n1)NCCC2)C(=O)Oc1cccc(C(F)(F)F)c1.

What is the InChIKey of [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate?

The InChIKey is UGLSNBVJKOFVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-25(11-9-15-8-7-13-4-3-10-23-17(13)24-15)18(26)27-16-6-2-5-14(12-16)19(20,21)22/h2,5-8,12H,3-4,9-11H2,1H3,(H,23,24).

What are the key properties of [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate?

[3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate has a molecular weight of 379.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(trifluoromethyl)phenyl] N-methyl-N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 46209317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).