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

C18H18F3N3O2 — CID 46209210

IUPAC[3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-4-1-5-15(11-13)26-17(25)23-10-8-14-7-6-12-3-2-9-22-16(12)24-14/h1,4-7,11H,2-3,8-10H2,(H,22,24)(H,23,25)
InChIKeyJKCBKELDZQYYCT-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.79
Rot. Bonds4

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

[3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate (PubChem CID 46209210) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is [3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Name[3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
PubChem CID46209210
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name[3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate
SMILESO=C(NCCc1ccc2c(n1)NCCC2)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-4-1-5-15(11-13)26-17(25)23-10-8-14-7-6-12-3-2-9-22-16(12)24-14/h1,4-7,11H,2-3,8-10H2,(H,22,24)(H,23,25)
InChIKeyJKCBKELDZQYYCT-UHFFFAOYSA-N
XLogP3.79
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate?
The IUPAC name of [3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate (CID 46209210) is [3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for [3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate?
The canonical SMILES for [3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate is O=C(NCCc1ccc2c(n1)NCCC2)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of [3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate?
The InChIKey is JKCBKELDZQYYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)13-4-1-5-15(11-13)26-17(25)23-10-8-14-7-6-12-3-2-9-22-16(12)24-14/h1,4-7,11H,2-3,8-10H2,(H,22,24)(H,23,25).
What are the key properties of [3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate?
[3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate has a molecular weight of 365.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)phenyl] N-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 46209210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).