5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid

C13H19N3O2 — CID 114406369

IUPAC5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCN(c2nc(C(=O)O)ccc2N)C(C)C1
InChIInChI=1S/C13H19N3O2/c1-8-5-6-16(9(2)7-8)12-10(14)3-4-11(15-12)13(17)18/h3-4,8-9H,5-7,14H2,1-2H3,(H,17,18)
InChIKeyJGRORVZPYNQKMV-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds2

About 5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid

5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid (PubChem CID 114406369) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
PubChem CID114406369
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
SMILESCC1CCN(c2nc(C(=O)O)ccc2N)C(C)C1
InChIInChI=1S/C13H19N3O2/c1-8-5-6-16(9(2)7-8)12-10(14)3-4-11(15-12)13(17)18/h3-4,8-9H,5-7,14H2,1-2H3,(H,17,18)
InChIKeyJGRORVZPYNQKMV-UHFFFAOYSA-N
XLogP1.99
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid (CID 114406369) is 5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid is CC1CCN(c2nc(C(=O)O)ccc2N)C(C)C1.
What is the InChIKey of 5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid?
The InChIKey is JGRORVZPYNQKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-5-6-16(9(2)7-8)12-10(14)3-4-11(15-12)13(17)18/h3-4,8-9H,5-7,14H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid?
5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2,4-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114406369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).