tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate

C19H25FN2O4 — CID 58548662

IUPACtert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Oc2ncc(F)cc2C2=CCOCC2)C1
InChIInChI=1S/C19H25FN2O4/c1-19(2,3)26-18(23)22-14-9-15(10-14)25-17-16(8-13(20)11-21-17)12-4-6-24-7-5-12/h4,8,11,14-15H,5-7,9-10H2,1-3H3,(H,22,23)
InChIKeyHWCDNPYMPLRGDE-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.46
Rot. Bonds4

About tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate

tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate (PubChem CID 58548662) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate
PubChem CID58548662
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Nametert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Oc2ncc(F)cc2C2=CCOCC2)C1
InChIInChI=1S/C19H25FN2O4/c1-19(2,3)26-18(23)22-14-9-15(10-14)25-17-16(8-13(20)11-21-17)12-4-6-24-7-5-12/h4,8,11,14-15H,5-7,9-10H2,1-3H3,(H,22,23)
InChIKeyHWCDNPYMPLRGDE-UHFFFAOYSA-N
XLogP3.46
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate (CID 58548662) is tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Oc2ncc(F)cc2C2=CCOCC2)C1.
What is the InChIKey of tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate?
The InChIKey is HWCDNPYMPLRGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-19(2,3)26-18(23)22-14-9-15(10-14)25-17-16(8-13(20)11-21-17)12-4-6-24-7-5-12/h4,8,11,14-15H,5-7,9-10H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate?
tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate has a molecular weight of 364.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamate is sourced from PubChem (CID 58548662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).