4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine

C16H17FN4 — CID 56839766

IUPAC4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine
SMILESNc1cc(-c2cc(C3CC4CCC3N4)cnc2F)ccn1
InChIInChI=1S/C16H17FN4/c17-16-13(9-3-4-19-15(18)6-9)5-10(8-20-16)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2,(H2,18,19)
InChIKeyZALPTLPCTBOPDH-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.47
Rot. Bonds2

About 4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine

4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine (PubChem CID 56839766) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine
PubChem CID56839766
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine
SMILESNc1cc(-c2cc(C3CC4CCC3N4)cnc2F)ccn1
InChIInChI=1S/C16H17FN4/c17-16-13(9-3-4-19-15(18)6-9)5-10(8-20-16)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2,(H2,18,19)
InChIKeyZALPTLPCTBOPDH-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 4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine (CID 56839766) is 4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine is Nc1cc(-c2cc(C3CC4CCC3N4)cnc2F)ccn1.
What is the InChIKey of 4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine?
The InChIKey is ZALPTLPCTBOPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c17-16-13(9-3-4-19-15(18)6-9)5-10(8-20-16)12-7-11-1-2-14(12)21-11/h3-6,8,11-12,14,21H,1-2,7H2,(H2,18,19).
What are the key properties of 4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine?
4-[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 4-[5-(7-azabicyclo[2.2.1]heptan-2-yl)-2-fluoro-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 56839766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).