5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid

C11H13N5O2 — CID 114253860

IUPAC5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ncc(N)cc2C(=O)O)nn1C
InChIInChI=1S/C11H13N5O2/c1-6-3-9(15-16(6)2)14-10-8(11(17)18)4-7(12)5-13-10/h3-5H,12H2,1-2H3,(H,17,18)(H,13,14,15)
InChIKeyISXCTRVKUDFDPS-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.15
Rot. Bonds3

About 5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid

5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid (PubChem CID 114253860) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
PubChem CID114253860
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ncc(N)cc2C(=O)O)nn1C
InChIInChI=1S/C11H13N5O2/c1-6-3-9(15-16(6)2)14-10-8(11(17)18)4-7(12)5-13-10/h3-5H,12H2,1-2H3,(H,17,18)(H,13,14,15)
InChIKeyISXCTRVKUDFDPS-UHFFFAOYSA-N
XLogP1.15
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid (CID 114253860) is 5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid is Cc1cc(Nc2ncc(N)cc2C(=O)O)nn1C.
What is the InChIKey of 5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is ISXCTRVKUDFDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-3-9(15-16(6)2)14-10-8(11(17)18)4-7(12)5-13-10/h3-5H,12H2,1-2H3,(H,17,18)(H,13,14,15).
What are the key properties of 5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid?
5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 247.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1,5-dimethylpyrazol-3-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114253860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).