(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C13H16FN3O2 — CID 99786692

IUPAC(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C13H16FN3O2/c14-10-1-2-11(15-7-10)16-12(18)17-5-3-13(8-17)4-6-19-9-13/h1-2,7H,3-6,8-9H2,(H,15,16,18)/t13-/m0/s1
InChIKeyUGGGVXADFPIPGS-ZDUSSCGKSA-N
MW265.29 g/mol
LogP1.87
Rot. Bonds1

About (5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 99786692) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is (5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID99786692
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C13H16FN3O2/c14-10-1-2-11(15-7-10)16-12(18)17-5-3-13(8-17)4-6-19-9-13/h1-2,7H,3-6,8-9H2,(H,15,16,18)/t13-/m0/s1
InChIKeyUGGGVXADFPIPGS-ZDUSSCGKSA-N
XLogP1.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 99786692) is (5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(Nc1ccc(F)cn1)N1CC[C@]2(CCOC2)C1.
What is the InChIKey of (5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is UGGGVXADFPIPGS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-10-1-2-11(15-7-10)16-12(18)17-5-3-13(8-17)4-6-19-9-13/h1-2,7H,3-6,8-9H2,(H,15,16,18)/t13-/m0/s1.
What are the key properties of (5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 265.29 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 99786692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).