5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid

C11H8N4O3 — CID 104669628

IUPAC5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2ccnnc2)c1
InChIInChI=1S/C11H8N4O3/c16-10(7-1-2-13-14-5-7)15-9-3-8(11(17)18)4-12-6-9/h1-6H,(H,15,16)(H,17,18)
InChIKeyXKUCTTNMWMBRNN-UHFFFAOYSA-N
MW244.21 g/mol
LogP0.82
Rot. Bonds3

About 5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid

5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid (PubChem CID 104669628) has the molecular formula C11H8N4O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid
PubChem CID104669628
Molecular FormulaC11H8N4O3
Molecular Weight244.21 g/mol
Exact Mass244.06
IUPAC Name5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(NC(=O)c2ccnnc2)c1
InChIInChI=1S/C11H8N4O3/c16-10(7-1-2-13-14-5-7)15-9-3-8(11(17)18)4-12-6-9/h1-6H,(H,15,16)(H,17,18)
InChIKeyXKUCTTNMWMBRNN-UHFFFAOYSA-N
XLogP0.82
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1H-pyrazole-4-carbonylamino)pyridine-3-carboxylic acid
CID 63154178
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
3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
CID 63154147
5-(1,2-oxazole-3-carbonylamino)pyridine-3-carboxylic acid
CID 63154305
N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
CID 106491133
5-[(5-nitro-1H-pyrrole-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 63153896
N-(3,4-dicyanophenyl)pyridazine-4-carboxamide
CID 103944391
5-[(3-carboxy-2,5-dihydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 156760584
5-[(4-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63153677

Frequently Asked Questions

What is the IUPAC name of 5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid (CID 104669628) is 5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid is O=C(O)c1cncc(NC(=O)c2ccnnc2)c1.
What is the InChIKey of 5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid?
The InChIKey is XKUCTTNMWMBRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3/c16-10(7-1-2-13-14-5-7)15-9-3-8(11(17)18)4-12-6-9/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid?
5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridazine-4-carbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 104669628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).