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

C13H20N4O2 — CID 114407308

IUPAC5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
SMILESCC1CC(Nc2nc(C(=O)O)ccc2N)CCN1C
InChIInChI=1S/C13H20N4O2/c1-8-7-9(5-6-17(8)2)15-12-10(14)3-4-11(16-12)13(18)19/h3-4,8-9H,5-7,14H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyRAUGPMYCUNFTMS-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.26
Rot. Bonds3

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

5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid (PubChem CID 114407308) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
PubChem CID114407308
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
SMILESCC1CC(Nc2nc(C(=O)O)ccc2N)CCN1C
InChIInChI=1S/C13H20N4O2/c1-8-7-9(5-6-17(8)2)15-12-10(14)3-4-11(16-12)13(18)19/h3-4,8-9H,5-7,14H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyRAUGPMYCUNFTMS-UHFFFAOYSA-N
XLogP1.26
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid (CID 114407308) is 5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid is CC1CC(Nc2nc(C(=O)O)ccc2N)CCN1C.
What is the InChIKey of 5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
The InChIKey is RAUGPMYCUNFTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-7-9(5-6-17(8)2)15-12-10(14)3-4-11(16-12)13(18)19/h3-4,8-9H,5-7,14H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid?
5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114407308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).