4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid

C17H24N2O2 — CID 81037183

IUPAC4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCC3(CCCC3)CC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C17H24N2O2/c1-12-11-14(15(16(20)21)13(2)18-12)19-9-7-17(8-10-19)5-3-4-6-17/h11H,3-10H2,1-2H3,(H,20,21)
InChIKeyNAQFVENUXKRKLH-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.56
Rot. Bonds2

About 4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid

4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81037183) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81037183
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(N2CCC3(CCCC3)CC2)c(C(=O)O)c(C)n1
InChIInChI=1S/C17H24N2O2/c1-12-11-14(15(16(20)21)13(2)18-12)19-9-7-17(8-10-19)5-3-4-6-17/h11H,3-10H2,1-2H3,(H,20,21)
InChIKeyNAQFVENUXKRKLH-UHFFFAOYSA-N
XLogP3.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid (CID 81037183) is 4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(N2CCC3(CCCC3)CC2)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is NAQFVENUXKRKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-11-14(15(16(20)21)13(2)18-12)19-9-7-17(8-10-19)5-3-4-6-17/h11H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid?
4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decan-8-yl)-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81037183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).