3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid

C16H22N2O2 — CID 114288647

IUPAC3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H22N2O2/c19-15(20)13-4-9-17-12-14(13)18-10-7-16(8-11-18)5-2-1-3-6-16/h4,9,12H,1-3,5-8,10-11H2,(H,19,20)
InChIKeyCXECKPMVYSHEIO-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.33
Rot. Bonds2

About 3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid

3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid (PubChem CID 114288647) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid
PubChem CID114288647
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H22N2O2/c19-15(20)13-4-9-17-12-14(13)18-10-7-16(8-11-18)5-2-1-3-6-16/h4,9,12H,1-3,5-8,10-11H2,(H,19,20)
InChIKeyCXECKPMVYSHEIO-UHFFFAOYSA-N
XLogP3.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,3-dimethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 114288722
2-(8-azaspiro[4.5]decan-8-yl)-4-bromobenzoic acid
CID 63535654
N-[[3-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 105073768
2-(3-azaspiro[5.5]undecan-3-yl)-5-fluorobenzoic acid
CID 63534808
N-[[3-(8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methyl]ethanamine
CID 105073842
3-(4-ethylazepan-1-yl)pyridine-4-carboxylic acid
CID 113269749
N-[[4-(3-azaspiro[5.5]undecan-3-yl)-3-pyridinyl]methyl]ethanamine
CID 81253435
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid
CID 114288777
8-azaspiro[4.5]decan-8-yl-(4-chloro-3-pyridinyl)methanone
CID 81226318
4-(3-azaspiro[5.5]undecan-3-yl)-2-chlorobenzoic acid
CID 63514704
3-(4-ethoxycarbonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107877070
3-[4-(2-hydroxyethoxy)piperidin-1-yl]pyridine-4-carboxylic acid
CID 105062780

Frequently Asked Questions

What is the IUPAC name of 3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid (CID 114288647) is 3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid is O=C(O)c1ccncc1N1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid?
The InChIKey is CXECKPMVYSHEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(20)13-4-9-17-12-14(13)18-10-7-16(8-11-18)5-2-1-3-6-16/h4,9,12H,1-3,5-8,10-11H2,(H,19,20).
What are the key properties of 3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid?
3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azaspiro[5.5]undecan-3-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114288647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).