4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid

C13H14N2O3 — CID 119186637

IUPAC4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCC23CCC3)ccn1
InChIInChI=1S/C13H14N2O3/c16-11(15-7-5-13(15)3-1-4-13)9-2-6-14-10(8-9)12(17)18/h2,6,8H,1,3-5,7H2,(H,17,18)
InChIKeyJBUNDRHFUGRQFI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.55
Rot. Bonds2

About 4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid

4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 119186637) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID119186637
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCC23CCC3)ccn1
InChIInChI=1S/C13H14N2O3/c16-11(15-7-5-13(15)3-1-4-13)9-2-6-14-10(8-9)12(17)18/h2,6,8H,1,3-5,7H2,(H,17,18)
InChIKeyJBUNDRHFUGRQFI-UHFFFAOYSA-N
XLogP1.55
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 113263155
4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181949
4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 122111158
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 114412276
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)pyridine-2-carboxylic acid
CID 107457873
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
hydrazine;pyridine-2,4-dicarboxylic acid
CID 71369189
4-[4-(2-methylpropanoyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119181875
4-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)pyridine-2-carboxylic acid
CID 102891640
4-carbonochloridoylpyridine-2-carboxylic acid
CID 156640763

Frequently Asked Questions

What is the IUPAC name of 4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid (CID 119186637) is 4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1cc(C(=O)N2CCC23CCC3)ccn1.
What is the InChIKey of 4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is JBUNDRHFUGRQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-11(15-7-5-13(15)3-1-4-13)9-2-6-14-10(8-9)12(17)18/h2,6,8H,1,3-5,7H2,(H,17,18).
What are the key properties of 4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid?
4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 119186637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).