5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine

C16H17FN4 — CID 56839764

IUPAC5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine
SMILESNc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cn1
InChIInChI=1S/C16H17FN4/c17-16-13(9-1-4-15(18)19-7-9)5-10(8-20-16)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2,(H2,18,19)
InChIKeyCSHAIEWAKNMFDS-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.47
Rot. Bonds2

About 5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine

5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine (PubChem CID 56839764) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine
PubChem CID56839764
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine
SMILESNc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cn1
InChIInChI=1S/C16H17FN4/c17-16-13(9-1-4-15(18)19-7-9)5-10(8-20-16)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2,(H2,18,19)
InChIKeyCSHAIEWAKNMFDS-UHFFFAOYSA-N
XLogP2.47
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine (CID 56839764) is 5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine is Nc1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cn1.
What is the InChIKey of 5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine?
The InChIKey is CSHAIEWAKNMFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c17-16-13(9-1-4-15(18)19-7-9)5-10(8-20-16)12-6-11-2-3-14(12)21-11/h1,4-5,7-8,11-12,14,21H,2-3,6H2,(H2,18,19).
What are the key properties of 5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine?
5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine has a molecular weight of 284.34 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 56839764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).