5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid

C11H14N4O3 — CID 81439878

IUPAC5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1NC1CCC(=O)NC1
InChIInChI=1S/C11H14N4O3/c12-8-3-6(11(17)18)4-14-10(8)15-7-1-2-9(16)13-5-7/h3-4,7H,1-2,5,12H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyVVQXGLKQMHTWML-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.05
Rot. Bonds3

About 5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid

5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 81439878) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID81439878
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1NC1CCC(=O)NC1
InChIInChI=1S/C11H14N4O3/c12-8-3-6(11(17)18)4-14-10(8)15-7-1-2-9(16)13-5-7/h3-4,7H,1-2,5,12H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyVVQXGLKQMHTWML-UHFFFAOYSA-N
XLogP0.05
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid (CID 81439878) is 5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1NC1CCC(=O)NC1.
What is the InChIKey of 5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is VVQXGLKQMHTWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c12-8-3-6(11(17)18)4-14-10(8)15-7-1-2-9(16)13-5-7/h3-4,7H,1-2,5,12H2,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid?
5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 250.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).