tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate

C20H26F3N3O3 — CID 142826460

IUPACtert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C20H26F3N3O3/c1-19(2,3)29-18(28)25-15-5-4-12(9-15)17(27)26-7-6-16-13(11-26)8-14(10-24-16)20(21,22)23/h8,10,12,15H,4-7,9,11H2,1-3H3,(H,25,28)
InChIKeyTYYAMRVYCKWACE-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.68
Rot. Bonds2

About tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate

tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate (PubChem CID 142826460) has the molecular formula C20H26F3N3O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate
PubChem CID142826460
Molecular FormulaC20H26F3N3O3
Molecular Weight413.44 g/mol
Exact Mass413.19
IUPAC Nametert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1
InChIInChI=1S/C20H26F3N3O3/c1-19(2,3)29-18(28)25-15-5-4-12(9-15)17(27)26-7-6-16-13(11-26)8-14(10-24-16)20(21,22)23/h8,10,12,15H,4-7,9,11H2,1-3H3,(H,25,28)
InChIKeyTYYAMRVYCKWACE-UHFFFAOYSA-N
XLogP3.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate (CID 142826460) is tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.
What is the InChIKey of tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate?
The InChIKey is TYYAMRVYCKWACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O3/c1-19(2,3)29-18(28)25-15-5-4-12(9-15)17(27)26-7-6-16-13(11-26)8-14(10-24-16)20(21,22)23/h8,10,12,15H,4-7,9,11H2,1-3H3,(H,25,28).
What are the key properties of tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate?
tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate has a molecular weight of 413.44 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]carbamate is sourced from PubChem (CID 142826460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).