[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid

C15H17FN2O4 — CID 67995366

IUPAC[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(Oc2ncc(F)cc2C2=CCOCC2)C1
InChIInChI=1S/C15H17FN2O4/c16-10-5-13(9-1-3-21-4-2-9)14(17-8-10)22-12-6-11(7-12)18-15(19)20/h1,5,8,11-12,18H,2-4,6-7H2,(H,19,20)
InChIKeyZCZSAEPURIUXRY-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.20
Rot. Bonds4

About [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid

[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid (PubChem CID 67995366) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid
PubChem CID67995366
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(Oc2ncc(F)cc2C2=CCOCC2)C1
InChIInChI=1S/C15H17FN2O4/c16-10-5-13(9-1-3-21-4-2-9)14(17-8-10)22-12-6-11(7-12)18-15(19)20/h1,5,8,11-12,18H,2-4,6-7H2,(H,19,20)
InChIKeyZCZSAEPURIUXRY-UHFFFAOYSA-N
XLogP2.20
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid?
The IUPAC name of [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid (CID 67995366) is [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid is O=C(O)NC1CC(Oc2ncc(F)cc2C2=CCOCC2)C1.
What is the InChIKey of [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid?
The InChIKey is ZCZSAEPURIUXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c16-10-5-13(9-1-3-21-4-2-9)14(17-8-10)22-12-6-11(7-12)18-15(19)20/h1,5,8,11-12,18H,2-4,6-7H2,(H,19,20).
What are the key properties of [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid?
[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid has a molecular weight of 308.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(3,6-dihydro-2H-pyran-4-yl)-5-fluoro-2-pyridinyl]oxy]cyclobutyl]carbamic acid is sourced from PubChem (CID 67995366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).