8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C13H17FN4O2 — CID 90212229

IUPAC8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(c3c(N)cncc3F)CC2)OC1=O
InChIInChI=1S/C13H17FN4O2/c1-17-8-13(20-12(17)19)2-4-18(5-3-13)11-9(14)6-16-7-10(11)15/h6-7H,2-5,8,15H2,1H3
InChIKeyHLNATLZPDLNSQI-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.22
Rot. Bonds1

About 8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 90212229) has the molecular formula C13H17FN4O2 and a molecular weight of 280.30 g/mol. Its IUPAC name is 8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID90212229
Molecular FormulaC13H17FN4O2
Molecular Weight280.30 g/mol
Exact Mass280.13
IUPAC Name8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(c3c(N)cncc3F)CC2)OC1=O
InChIInChI=1S/C13H17FN4O2/c1-17-8-13(20-12(17)19)2-4-18(5-3-13)11-9(14)6-16-7-10(11)15/h6-7H,2-5,8,15H2,1H3
InChIKeyHLNATLZPDLNSQI-UHFFFAOYSA-N
XLogP1.22
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 90212229) is 8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(c3c(N)cncc3F)CC2)OC1=O.
What is the InChIKey of 8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HLNATLZPDLNSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2/c1-17-8-13(20-12(17)19)2-4-18(5-3-13)11-9(14)6-16-7-10(11)15/h6-7H,2-5,8,15H2,1H3.
What are the key properties of 8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 280.30 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-5-fluoro-4-pyridinyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 90212229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).