7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one

C14H18FN3O — CID 70653931

IUPAC7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one
SMILESNC1CCCC2(CCN(c3cncc(F)c3)C2=O)C1
InChIInChI=1S/C14H18FN3O/c15-10-6-12(9-17-8-10)18-5-4-14(13(18)19)3-1-2-11(16)7-14/h6,8-9,11H,1-5,7,16H2
InChIKeyITDGWLQNNWPKNE-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.85
Rot. Bonds1

About 7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one

7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 70653931) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one
PubChem CID70653931
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one
SMILESNC1CCCC2(CCN(c3cncc(F)c3)C2=O)C1
InChIInChI=1S/C14H18FN3O/c15-10-6-12(9-17-8-10)18-5-4-14(13(18)19)3-1-2-11(16)7-14/h6,8-9,11H,1-5,7,16H2
InChIKeyITDGWLQNNWPKNE-UHFFFAOYSA-N
XLogP1.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one (CID 70653931) is 7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one is NC1CCCC2(CCN(c3cncc(F)c3)C2=O)C1.
What is the InChIKey of 7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is ITDGWLQNNWPKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-10-6-12(9-17-8-10)18-5-4-14(13(18)19)3-1-2-11(16)7-14/h6,8-9,11H,1-5,7,16H2.
What are the key properties of 7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one?
7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 263.32 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 70653931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).