4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid

C13H16N2O3 — CID 113263155

IUPAC4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1(C)CCCN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H16N2O3/c1-13(2)5-3-7-15(13)11(16)9-4-6-14-10(8-9)12(17)18/h4,6,8H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyKSGCBKKIKJMOTE-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.79
Rot. Bonds2

About 4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid

4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 113263155) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID113263155
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
SMILESCC1(C)CCCN1C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C13H16N2O3/c1-13(2)5-3-7-15(13)11(16)9-4-6-14-10(8-9)12(17)18/h4,6,8H,3,5,7H2,1-2H3,(H,17,18)
InChIKeyKSGCBKKIKJMOTE-UHFFFAOYSA-N
XLogP1.79
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-azaspiro[3.3]heptane-1-carbonyl)pyridine-2-carboxylic acid
CID 119186637
4-(2,2-dimethyl-3-phenylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 122111158
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)pyridine-2-carboxylic acid
CID 107457873
(2,2-dimethylpyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 63218627
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-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
6-(2,2-dimethylpyrrolidine-1-carbonyl)-5H-cyclopenta[b]pyridine-4-carboxylic acid
CID 149017866
2,3-dihydro-1H-indol-5-yl-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63217542
4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 106316266
(2,2-dimethylpyrrolidin-1-yl)-quinolin-4-ylmethanone
CID 154753164

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid (CID 113263155) is 4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid is CC1(C)CCCN1C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is KSGCBKKIKJMOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2)5-3-7-15(13)11(16)9-4-6-14-10(8-9)12(17)18/h4,6,8H,3,5,7H2,1-2H3,(H,17,18).
What are the key properties of 4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid?
4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113263155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).