6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid

C13H18N2O2 — CID 106904290

IUPAC6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1CC(C)N(Cc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C13H18N2O2/c1-9-6-10(2)15(7-9)8-11-4-3-5-12(14-11)13(16)17/h3-5,9-10H,6-8H2,1-2H3,(H,16,17)
InChIKeyVHMGHVXEUZAWOO-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.01
Rot. Bonds3

About 6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid

6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 106904290) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID106904290
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCC1CC(C)N(Cc2cccc(C(=O)O)n2)C1
InChIInChI=1S/C13H18N2O2/c1-9-6-10(2)15(7-9)8-11-4-3-5-12(14-11)13(16)17/h3-5,9-10H,6-8H2,1-2H3,(H,16,17)
InChIKeyVHMGHVXEUZAWOO-UHFFFAOYSA-N
XLogP2.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridine-2-carboxylic acid
CID 106904232
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106905038
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146
6-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904217
6-[(4-methoxypiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903971
6-[[(2,4-dimethylcyclohexyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904706
[6-[(3-methylazetidin-1-yl)methyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 177347694

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid (CID 106904290) is 6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid is CC1CC(C)N(Cc2cccc(C(=O)O)n2)C1.
What is the InChIKey of 6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is VHMGHVXEUZAWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-6-10(2)15(7-9)8-11-4-3-5-12(14-11)13(16)17/h3-5,9-10H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dimethylpyrrolidin-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).