5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid

C10H8N4O3 — CID 63154178

IUPAC5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C10H8N4O3/c15-9(7-3-12-13-4-7)14-8-1-6(10(16)17)2-11-5-8/h1-5H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyMCZDBIKJPHMZRN-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.76
Rot. Bonds3

About 5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid

5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid (PubChem CID 63154178) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid
PubChem CID63154178
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2cn[nH]c2)c1
InChIInChI=1S/C10H8N4O3/c15-9(7-3-12-13-4-7)14-8-1-6(10(16)17)2-11-5-8/h1-5H,(H,12,13)(H,14,15)(H,16,17)
InChIKeyMCZDBIKJPHMZRN-UHFFFAOYSA-N
XLogP0.76
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid
CID 104669628
5-(1,2-oxazole-3-carbonylamino)pyridine-3-carboxylic acid
CID 63154305
5-[(1-methylpyrazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153723
5-(1,3-dihydro-2-benzofuran-5-carbonylamino)pyridine-3-carboxylic acid
CID 63733480
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 156760584
4,5-difluoro-2-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 55129854
N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 60786492
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
CID 63154147
5-[(2-methoxy-5-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63154692
5-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153384

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid (CID 63154178) is 5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)c2cn[nH]c2)c1.
What is the InChIKey of 5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid?
The InChIKey is MCZDBIKJPHMZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c15-9(7-3-12-13-4-7)14-8-1-6(10(16)17)2-11-5-8/h1-5H,(H,12,13)(H,14,15)(H,16,17).
What are the key properties of 5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid?
5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63154178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).