5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine

C17H19N3 — CID 10084227

IUPAC5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine
SMILESNc1ncc(C2CC3CCC2N3)cc1-c1ccccc1
InChIInChI=1S/C17H19N3/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2,(H2,18,19)
InChIKeyABSIBSJUOJFQHU-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.94
Rot. Bonds2

About 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine

5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine (PubChem CID 10084227) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine.

Molecular Properties

Compound Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine
PubChem CID10084227
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine
SMILESNc1ncc(C2CC3CCC2N3)cc1-c1ccccc1
InChIInChI=1S/C17H19N3/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2,(H2,18,19)
InChIKeyABSIBSJUOJFQHU-UHFFFAOYSA-N
XLogP2.94
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine?
The IUPAC name of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine (CID 10084227) is 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine.
What is the SMILES notation for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine?
The canonical SMILES for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine is Nc1ncc(C2CC3CCC2N3)cc1-c1ccccc1.
What is the InChIKey of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine?
The InChIKey is ABSIBSJUOJFQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2,(H2,18,19).
What are the key properties of 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine?
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine has a molecular weight of 265.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-phenylpyridin-2-amine is sourced from PubChem (CID 10084227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).