6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine

C15H16F2N4 — CID 118970182

IUPAC6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine
SMILESNC1C=CC=C(c2ccc(N3CC4C(C3)C4(F)F)nc2)N1
InChIInChI=1S/C15H16F2N4/c16-15(17)10-7-21(8-11(10)15)14-5-4-9(6-19-14)12-2-1-3-13(18)20-12/h1-6,10-11,13,20H,7-8,18H2
InChIKeyKAHQINFWUWFFQM-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.57
Rot. Bonds2

About 6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine

6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine (PubChem CID 118970182) has the molecular formula C15H16F2N4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine
PubChem CID118970182
Molecular FormulaC15H16F2N4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine
SMILESNC1C=CC=C(c2ccc(N3CC4C(C3)C4(F)F)nc2)N1
InChIInChI=1S/C15H16F2N4/c16-15(17)10-7-21(8-11(10)15)14-5-4-9(6-19-14)12-2-1-3-13(18)20-12/h1-6,10-11,13,20H,7-8,18H2
InChIKeyKAHQINFWUWFFQM-UHFFFAOYSA-N
XLogP1.57
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine?
The IUPAC name of 6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine (CID 118970182) is 6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine?
The canonical SMILES for 6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine is NC1C=CC=C(c2ccc(N3CC4C(C3)C4(F)F)nc2)N1.
What is the InChIKey of 6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine?
The InChIKey is KAHQINFWUWFFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4/c16-15(17)10-7-21(8-11(10)15)14-5-4-9(6-19-14)12-2-1-3-13(18)20-12/h1-6,10-11,13,20H,7-8,18H2.
What are the key properties of 6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine?
6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine has a molecular weight of 290.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 118970182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).