3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid

C11H12N4O2 — CID 118970057

IUPAC3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
SMILESCc1cn(C)nc1Nc1cnccc1C(=O)O
InChIInChI=1S/C11H12N4O2/c1-7-6-15(2)14-10(7)13-9-5-12-4-3-8(9)11(16)17/h3-6H,1-2H3,(H,13,14)(H,16,17)
InChIKeyNCTHKGHQDSZCNF-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.57
Rot. Bonds3

About 3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid

3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid (PubChem CID 118970057) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
PubChem CID118970057
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid
SMILESCc1cn(C)nc1Nc1cnccc1C(=O)O
InChIInChI=1S/C11H12N4O2/c1-7-6-15(2)14-10(7)13-9-5-12-4-3-8(9)11(16)17/h3-6H,1-2H3,(H,13,14)(H,16,17)
InChIKeyNCTHKGHQDSZCNF-UHFFFAOYSA-N
XLogP1.57
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 102810213
3-(4-fluoro-2-methylanilino)pyridine-4-carboxylic acid
CID 105062559
3-[2-methyl-5-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062753
3-[[1-[(3S)-1-methylpyrrolidin-3-yl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
CID 145048511
3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062675
3-[[1-[[methyl(2-methylpropyl)amino]methyl]-4-phenylpyrazol-3-yl]amino]pyridine-4-carboxylic acid
CID 118970248
3-(2,6-dibromoanilino)pyridine-4-carboxylic acid
CID 107600894
3-amino-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 107464523
3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid
CID 118961719
3-(2-phenylanilino)pyridine-4-carboxylic acid
CID 71766720
3-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 105062601
3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)amino]pyridine-4-carboxylic acid
CID 118961751

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid (CID 118970057) is 3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid is Cc1cn(C)nc1Nc1cnccc1C(=O)O.
What is the InChIKey of 3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is NCTHKGHQDSZCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-6-15(2)14-10(7)13-9-5-12-4-3-8(9)11(16)17/h3-6H,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid?
3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpyrazol-3-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 118970057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).