6-(4-acetamidoanilino)pyridazine-3-carboxylic acid

C13H12N4O3 — CID 60791814

IUPAC6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)O)nn2)cc1
InChIInChI=1S/C13H12N4O3/c1-8(18)14-9-2-4-10(5-3-9)15-12-7-6-11(13(19)20)16-17-12/h2-7H,1H3,(H,14,18)(H,15,17)(H,19,20)
InChIKeyCRKCMXRNJIAESH-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.88
Rot. Bonds4

About 6-(4-acetamidoanilino)pyridazine-3-carboxylic acid

6-(4-acetamidoanilino)pyridazine-3-carboxylic acid (PubChem CID 60791814) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
PubChem CID60791814
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)O)nn2)cc1
InChIInChI=1S/C13H12N4O3/c1-8(18)14-9-2-4-10(5-3-9)15-12-7-6-11(13(19)20)16-17-12/h2-7H,1H3,(H,14,18)(H,15,17)(H,19,20)
InChIKeyCRKCMXRNJIAESH-UHFFFAOYSA-N
XLogP1.88
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121699
6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
CID 109129904
6-(4-acetamidoanilino)pyridine-2-carboxylic acid
CID 62255530
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
6-(4-fluoro-3-methylanilino)pyridazine-3-carboxylic acid
CID 62812713

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(4-acetamidoanilino)pyridazine-3-carboxylic acid (CID 60791814) is 6-(4-acetamidoanilino)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(4-acetamidoanilino)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(4-acetamidoanilino)pyridazine-3-carboxylic acid is CC(=O)Nc1ccc(Nc2ccc(C(=O)O)nn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)pyridazine-3-carboxylic acid?
The InChIKey is CRKCMXRNJIAESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8(18)14-9-2-4-10(5-3-9)15-12-7-6-11(13(19)20)16-17-12/h2-7H,1H3,(H,14,18)(H,15,17)(H,19,20).
What are the key properties of 6-(4-acetamidoanilino)pyridazine-3-carboxylic acid?
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)pyridazine-3-carboxylic acid is sourced from PubChem (CID 60791814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).