2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid

C14H16N2O4 — CID 122056337

IUPAC2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCOC3(CCC3)C2)c1
InChIInChI=1S/C14H16N2O4/c17-12(11-8-10(13(18)19)2-5-15-11)16-6-7-20-14(9-16)3-1-4-14/h2,5,8H,1,3-4,6-7,9H2,(H,18,19)
InChIKeyCQNKHMPWZYXEFJ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.17
Rot. Bonds2

About 2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid

2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid (PubChem CID 122056337) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid
PubChem CID122056337
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)N2CCOC3(CCC3)C2)c1
InChIInChI=1S/C14H16N2O4/c17-12(11-8-10(13(18)19)2-5-15-11)16-6-7-20-14(9-16)3-1-4-14/h2,5,8H,1,3-4,6-7,9H2,(H,18,19)
InChIKeyCQNKHMPWZYXEFJ-UHFFFAOYSA-N
XLogP1.17
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-2-methylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122056339
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenylpyrimidin-5-yl)methanone
CID 71968472
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
2-(3,3,4-trimethylpiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122056218
2-(spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-carbonyl)pyridine-4-carboxylic acid
CID 122056342
formic acid;(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-4-ylmethanone
CID 154919240
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
tert-butyl 4-(pyridine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 118570228
1H-indol-5-yl(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 91767064
5-oxa-8-azaspiro[3.5]nonan-8-yl-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 138993980
5-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)thiophene-2-carboxylic acid
CID 120695829
2-[3-methyl-3-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055855

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid (CID 122056337) is 2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)N2CCOC3(CCC3)C2)c1.
What is the InChIKey of 2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid?
The InChIKey is CQNKHMPWZYXEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-12(11-8-10(13(18)19)2-5-15-11)16-6-7-20-14(9-16)3-1-4-14/h2,5,8H,1,3-4,6-7,9H2,(H,18,19).
What are the key properties of 2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid?
2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxa-8-azaspiro[3.5]nonane-8-carbonyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 122056337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).