2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid

C13H16N2O2 — CID 114325420

IUPAC2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CC3(CCC3)C2)c1
InChIInChI=1S/C13H16N2O2/c16-12(17)10-2-5-14-11(6-10)7-15-8-13(9-15)3-1-4-13/h2,5-6H,1,3-4,7-9H2,(H,16,17)
InChIKeyKBIVBQYAATVBIR-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.77
Rot. Bonds3

About 2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid

2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid (PubChem CID 114325420) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid
PubChem CID114325420
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CN2CC3(CCC3)C2)c1
InChIInChI=1S/C13H16N2O2/c16-12(17)10-2-5-14-11(6-10)7-15-8-13(9-15)3-1-4-13/h2,5-6H,1,3-4,7-9H2,(H,16,17)
InChIKeyKBIVBQYAATVBIR-UHFFFAOYSA-N
XLogP1.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-azaspiro[2.3]hexan-5-ylmethyl)pyridine-4-carboxylic acid
CID 114325415
2-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)pyridine-4-carboxylic acid
CID 113277697
2-(pyrrol-1-ylmethyl)pyridine-4-carboxylic acid
CID 114324425
2-[(2-oxo-1,3-diazinan-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324863
2-[(2-oxoimidazolidin-1-yl)methyl]pyridine-4-carboxylic acid
CID 114324861
2-[(4-benzhydryl-1,4-diazepan-1-yl)methyl]pyridine-4-carboxylic acid
CID 89474862
2-[(1,1-dioxothiazinan-2-yl)methyl]pyridine-4-carboxylic acid
CID 116814508
2-[[4-[2-(4,4-difluoropiperidin-1-yl)ethyl]-3-oxo-1,4-diazepan-1-yl]methyl]pyridine-4-carboxylic acid
CID 139400943
methyl 2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxylate
CID 15123252
2-(2,2,6,6-tetramethylpiperidin-1-yl)pyridine-4-carboxylic acid
CID 165450622
2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-4-carboxylic acid
CID 114324862
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid (CID 114325420) is 2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(CN2CC3(CCC3)C2)c1.
What is the InChIKey of 2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid?
The InChIKey is KBIVBQYAATVBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12(17)10-2-5-14-11(6-10)7-15-8-13(9-15)3-1-4-13/h2,5-6H,1,3-4,7-9H2,(H,16,17).
What are the key properties of 2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid?
2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[3.3]heptan-2-ylmethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114325420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).