5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

C21H17F4N3O — CID 151009318

IUPAC5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(C3CCC3)c(Oc3ncccc3C(F)(F)F)c2F)cn1
InChIInChI=1S/C21H17F4N3O/c22-18-14(13-6-9-17(26)28-11-13)7-8-15(12-3-1-4-12)19(18)29-20-16(21(23,24)25)5-2-10-27-20/h2,5-12H,1,3-4H2,(H2,26,28)
InChIKeyLVTGPKIALYJYKM-UHFFFAOYSA-N
MW403.38 g/mol
LogP5.94
Rot. Bonds4

About 5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 151009318) has the molecular formula C21H17F4N3O and a molecular weight of 403.38 g/mol. Its IUPAC name is 5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID151009318
Molecular FormulaC21H17F4N3O
Molecular Weight403.38 g/mol
Exact Mass403.13
IUPAC Name5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(C3CCC3)c(Oc3ncccc3C(F)(F)F)c2F)cn1
InChIInChI=1S/C21H17F4N3O/c22-18-14(13-6-9-17(26)28-11-13)7-8-15(12-3-1-4-12)19(18)29-20-16(21(23,24)25)5-2-10-27-20/h2,5-12H,1,3-4H2,(H2,26,28)
InChIKeyLVTGPKIALYJYKM-UHFFFAOYSA-N
XLogP5.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.38
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of 5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 151009318) is 5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for 5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for 5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is Nc1ccc(-c2ccc(C3CCC3)c(Oc3ncccc3C(F)(F)F)c2F)cn1.
What is the InChIKey of 5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is LVTGPKIALYJYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F4N3O/c22-18-14(13-6-9-17(26)28-11-13)7-8-15(12-3-1-4-12)19(18)29-20-16(21(23,24)25)5-2-10-27-20/h2,5-12H,1,3-4H2,(H2,26,28).
What are the key properties of 5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 403.38 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyclobutyl-2-fluoro-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 151009318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).