N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine

C20H22F3N3O2 — CID 54761724

IUPACN-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)14-3-4-18(25-12-14)26-15-10-16(11-15)28-19-17(2-1-7-24-19)13-5-8-27-9-6-13/h1-4,7,12-13,15-16H,5-6,8-11H2,(H,25,26)
InChIKeyMUVPXYPHRKIAAD-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.41
Rot. Bonds5

About N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine

N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 54761724) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID54761724
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1
InChIInChI=1S/C20H22F3N3O2/c21-20(22,23)14-3-4-18(25-12-14)26-15-10-16(11-15)28-19-17(2-1-7-24-19)13-5-8-27-9-6-13/h1-4,7,12-13,15-16H,5-6,8-11H2,(H,25,26)
InChIKeyMUVPXYPHRKIAAD-UHFFFAOYSA-N
XLogP4.41
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine (CID 54761724) is N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccc(NC2CC(Oc3ncccc3C3CCOCC3)C2)nc1.
What is the InChIKey of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MUVPXYPHRKIAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c21-20(22,23)14-3-4-18(25-12-14)26-15-10-16(11-15)28-19-17(2-1-7-24-19)13-5-8-27-9-6-13/h1-4,7,12-13,15-16H,5-6,8-11H2,(H,25,26).
What are the key properties of N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 393.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 54761724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).