3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

C21H19F2N3O2 — CID 59373967

IUPAC3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESFc1cnc(Nc2ccc(Oc3ncccc3C3CCOCC3)cc2)c(F)c1
InChIInChI=1S/C21H19F2N3O2/c22-15-12-19(23)20(25-13-15)26-16-3-5-17(6-4-16)28-21-18(2-1-9-24-21)14-7-10-27-11-8-14/h1-6,9,12-14H,7-8,10-11H2,(H,25,26)
InChIKeyPMGLZVXKDHUYHB-UHFFFAOYSA-N
MW383.40 g/mol
LogP5.18
Rot. Bonds5

About 3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine

3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (PubChem CID 59373967) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
PubChem CID59373967
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
SMILESFc1cnc(Nc2ccc(Oc3ncccc3C3CCOCC3)cc2)c(F)c1
InChIInChI=1S/C21H19F2N3O2/c22-15-12-19(23)20(25-13-15)26-16-3-5-17(6-4-16)28-21-18(2-1-9-24-21)14-7-10-27-11-8-14/h1-6,9,12-14H,7-8,10-11H2,(H,25,26)
InChIKeyPMGLZVXKDHUYHB-UHFFFAOYSA-N
XLogP5.18
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine (CID 59373967) is 3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is Fc1cnc(Nc2ccc(Oc3ncccc3C3CCOCC3)cc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
The InChIKey is PMGLZVXKDHUYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c22-15-12-19(23)20(25-13-15)26-16-3-5-17(6-4-16)28-21-18(2-1-9-24-21)14-7-10-27-11-8-14/h1-6,9,12-14H,7-8,10-11H2,(H,25,26).
What are the key properties of 3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine?
3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine has a molecular weight of 383.40 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 59373967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).