5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid

C18H24N2O3 — CID 120552932

IUPAC5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(C(=O)O)nc2)CC12CCCCC2
InChIInChI=1S/C18H24N2O3/c1-13-7-10-20(12-18(13)8-3-2-4-9-18)16(21)14-5-6-15(17(22)23)19-11-14/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,22,23)
InChIKeyKNDWXXXNGFGEIS-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.21
Rot. Bonds2

About 5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid

5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid (PubChem CID 120552932) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid
PubChem CID120552932
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccc(C(=O)O)nc2)CC12CCCCC2
InChIInChI=1S/C18H24N2O3/c1-13-7-10-20(12-18(13)8-3-2-4-9-18)16(21)14-5-6-15(17(22)23)19-11-14/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,22,23)
InChIKeyKNDWXXXNGFGEIS-UHFFFAOYSA-N
XLogP3.21
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43414812
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid
CID 79117582
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
(2-cyclopropyl-6-methyl-3-pyridinyl)-(5-methyl-2-azaspiro[5.5]undecan-2-yl)methanone
CID 138058681
N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide
CID 146076546
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795
5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120552033
N,N-diethyl-2-methyl-5-(9-methyl-6-azaspiro[3.5]nonane-6-carbonyl)benzenesulfonamide
CID 75440741
(6-amino-3-pyridinyl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164699317
5-[4-[methyl-(6-methylpyridazin-3-yl)amino]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119134248
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119137424
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone
CID 139001408

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid (CID 120552932) is 5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid is CC1CCN(C(=O)c2ccc(C(=O)O)nc2)CC12CCCCC2.
What is the InChIKey of 5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is KNDWXXXNGFGEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-7-10-20(12-18(13)8-3-2-4-9-18)16(21)14-5-6-15(17(22)23)19-11-14/h5-6,11,13H,2-4,7-10,12H2,1H3,(H,22,23).
What are the key properties of 5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid?
5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 316.40 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2-azaspiro[5.5]undecane-2-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 120552932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).