6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine

C14H19F2N3O — CID 91801736

IUPAC6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESFC1(F)CN(c2cccc(NCC3CCOCC3)n2)C1
InChIInChI=1S/C14H19F2N3O/c15-14(16)9-19(10-14)13-3-1-2-12(18-13)17-8-11-4-6-20-7-5-11/h1-3,11H,4-10H2,(H,17,18)
InChIKeyBVJNHMHWTZDSEU-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.38
Rot. Bonds4

About 6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine

6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine (PubChem CID 91801736) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is 6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine
PubChem CID91801736
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC Name6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine
SMILESFC1(F)CN(c2cccc(NCC3CCOCC3)n2)C1
InChIInChI=1S/C14H19F2N3O/c15-14(16)9-19(10-14)13-3-1-2-12(18-13)17-8-11-4-6-20-7-5-11/h1-3,11H,4-10H2,(H,17,18)
InChIKeyBVJNHMHWTZDSEU-UHFFFAOYSA-N
XLogP2.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine (CID 91801736) is 6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine is FC1(F)CN(c2cccc(NCC3CCOCC3)n2)C1.
What is the InChIKey of 6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
The InChIKey is BVJNHMHWTZDSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-14(16)9-19(10-14)13-3-1-2-12(18-13)17-8-11-4-6-20-7-5-11/h1-3,11H,4-10H2,(H,17,18).
What are the key properties of 6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine?
6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine has a molecular weight of 283.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoroazetidin-1-yl)-N-(oxan-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 91801736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).