5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid

C13H19N3O2 — CID 81438942

IUPAC5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1CCCN1c1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H19N3O2/c1-8(2)11-4-3-5-16(11)12-10(14)6-9(7-15-12)13(17)18/h6-8,11H,3-5,14H2,1-2H3,(H,17,18)
InChIKeyNYPMQOLFHHBHIE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds3

About 5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid

5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 81438942) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
PubChem CID81438942
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
SMILESCC(C)C1CCCN1c1ncc(C(=O)O)cc1N
InChIInChI=1S/C13H19N3O2/c1-8(2)11-4-3-5-16(11)12-10(14)6-9(7-15-12)13(17)18/h6-8,11H,3-5,14H2,1-2H3,(H,17,18)
InChIKeyNYPMQOLFHHBHIE-UHFFFAOYSA-N
XLogP1.99
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid (CID 81438942) is 5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid is CC(C)C1CCCN1c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is NYPMQOLFHHBHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)11-4-3-5-16(11)12-10(14)6-9(7-15-12)13(17)18/h6-8,11H,3-5,14H2,1-2H3,(H,17,18).
What are the key properties of 5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid?
5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 81438942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).