5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid

C14H19N3O2 — CID 114196709

IUPAC5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1N1CC2CCCC(C2)C1
InChIInChI=1S/C14H19N3O2/c15-11-4-5-12(14(18)19)16-13(11)17-7-9-2-1-3-10(6-9)8-17/h4-5,9-10H,1-3,6-8,15H2,(H,18,19)
InChIKeyVNMSPUKMYJNMLA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.99
Rot. Bonds2

About 5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid

5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid (PubChem CID 114196709) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid
PubChem CID114196709
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1N1CC2CCCC(C2)C1
InChIInChI=1S/C14H19N3O2/c15-11-4-5-12(14(18)19)16-13(11)17-7-9-2-1-3-10(6-9)8-17/h4-5,9-10H,1-3,6-8,15H2,(H,18,19)
InChIKeyVNMSPUKMYJNMLA-UHFFFAOYSA-N
XLogP1.99
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
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-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid (CID 114196709) is 5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1N1CC2CCCC(C2)C1.
What is the InChIKey of 5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid?
The InChIKey is VNMSPUKMYJNMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-11-4-5-12(14(18)19)16-13(11)17-7-9-2-1-3-10(6-9)8-17/h4-5,9-10H,1-3,6-8,15H2,(H,18,19).
What are the key properties of 5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid?
5-amino-6-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid has a molecular weight of 261.32 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-(3-azabicyclo[3.3.1]nonan-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 114196709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).