N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide

C11H12FN3O2 — CID 126834203

IUPACN-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1CCC12COC2
InChIInChI=1S/C11H12FN3O2/c12-8-1-2-9(13-5-8)14-10(16)15-4-3-11(15)6-17-7-11/h1-2,5H,3-4,6-7H2,(H,13,14,16)
InChIKeyFYCSTUKTLZDDNW-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.23
Rot. Bonds1

About N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide

N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide (PubChem CID 126834203) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide
PubChem CID126834203
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC NameN-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide
SMILESO=C(Nc1ccc(F)cn1)N1CCC12COC2
InChIInChI=1S/C11H12FN3O2/c12-8-1-2-9(13-5-8)14-10(16)15-4-3-11(15)6-17-7-11/h1-2,5H,3-4,6-7H2,(H,13,14,16)
InChIKeyFYCSTUKTLZDDNW-UHFFFAOYSA-N
XLogP1.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide (CID 126834203) is N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide is O=C(Nc1ccc(F)cn1)N1CCC12COC2.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide?
The InChIKey is FYCSTUKTLZDDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-8-1-2-9(13-5-8)14-10(16)15-4-3-11(15)6-17-7-11/h1-2,5H,3-4,6-7H2,(H,13,14,16).
What are the key properties of N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide?
N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide has a molecular weight of 237.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-6-oxa-1-azaspiro[3.3]heptane-1-carboxamide is sourced from PubChem (CID 126834203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).