5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine

C17H18FN3O — CID 66955271

IUPAC5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine
SMILESFc1ccc(NC2CC23CCOCC3)nc1-c1ccncc1
InChIInChI=1S/C17H18FN3O/c18-13-1-2-15(21-16(13)12-3-7-19-8-4-12)20-14-11-17(14)5-9-22-10-6-17/h1-4,7-8,14H,5-6,9-11H2,(H,20,21)
InChIKeyLODKGOIOWIPLFL-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.26
Rot. Bonds3

About 5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine

5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine (PubChem CID 66955271) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine
PubChem CID66955271
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine
SMILESFc1ccc(NC2CC23CCOCC3)nc1-c1ccncc1
InChIInChI=1S/C17H18FN3O/c18-13-1-2-15(21-16(13)12-3-7-19-8-4-12)20-14-11-17(14)5-9-22-10-6-17/h1-4,7-8,14H,5-6,9-11H2,(H,20,21)
InChIKeyLODKGOIOWIPLFL-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine?
The IUPAC name of 5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine (CID 66955271) is 5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine?
The canonical SMILES for 5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine is Fc1ccc(NC2CC23CCOCC3)nc1-c1ccncc1.
What is the InChIKey of 5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine?
The InChIKey is LODKGOIOWIPLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-13-1-2-15(21-16(13)12-3-7-19-8-4-12)20-14-11-17(14)5-9-22-10-6-17/h1-4,7-8,14H,5-6,9-11H2,(H,20,21).
What are the key properties of 5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine?
5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine has a molecular weight of 299.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(6-oxaspiro[2.5]octan-2-yl)-6-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 66955271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).