3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid

C14H20N4O2 — CID 79170719

IUPAC3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
SMILESCN1C2CCC1CN(c1nccc(C(=O)O)c1N)CC2
InChIInChI=1S/C14H20N4O2/c1-17-9-2-3-10(17)8-18(7-5-9)13-12(15)11(14(19)20)4-6-16-13/h4,6,9-10H,2-3,5,7-8,15H2,1H3,(H,19,20)
InChIKeyYOHJGDJFJVXDPH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.03
Rot. Bonds2

About 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid

3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid (PubChem CID 79170719) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
PubChem CID79170719
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid
SMILESCN1C2CCC1CN(c1nccc(C(=O)O)c1N)CC2
InChIInChI=1S/C14H20N4O2/c1-17-9-2-3-10(17)8-18(7-5-9)13-12(15)11(14(19)20)4-6-16-13/h4,6,9-10H,2-3,5,7-8,15H2,1H3,(H,19,20)
InChIKeyYOHJGDJFJVXDPH-UHFFFAOYSA-N
XLogP1.03
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid (CID 79170719) is 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid is CN1C2CCC1CN(c1nccc(C(=O)O)c1N)CC2.
What is the InChIKey of 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid?
The InChIKey is YOHJGDJFJVXDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-9-2-3-10(17)8-18(7-5-9)13-12(15)11(14(19)20)4-6-16-13/h4,6,9-10H,2-3,5,7-8,15H2,1H3,(H,19,20).
What are the key properties of 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid?
3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 79170719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).