6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide

C17H12Cl2N4O — CID 109128614

IUPAC6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H12Cl2N4O/c18-11-5-7-12(8-6-11)20-16-10-9-15(22-23-16)17(24)21-14-4-2-1-3-13(14)19/h1-10H,(H,20,23)(H,21,24)
InChIKeySVEMUCGAFOVJQA-UHFFFAOYSA-N
MW359.22 g/mol
LogP4.78
Rot. Bonds4

About 6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide

6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide (PubChem CID 109128614) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
PubChem CID109128614
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C17H12Cl2N4O/c18-11-5-7-12(8-6-11)20-16-10-9-15(22-23-16)17(24)21-14-4-2-1-3-13(14)19/h1-10H,(H,20,23)(H,21,24)
InChIKeySVEMUCGAFOVJQA-UHFFFAOYSA-N
XLogP4.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109128635
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128634
2-chloro-N-[6-(4-chloroanilino)pyridazin-3-yl]benzamide
CID 113047552
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-(2-chlorophenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109128642
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128462
N-(2,5-dichlorophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129367
6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109126640
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 109127942

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide (CID 109128614) is 6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccccc1Cl)c1ccc(Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of 6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide?
The InChIKey is SVEMUCGAFOVJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c18-11-5-7-12(8-6-11)20-16-10-9-15(22-23-16)17(24)21-14-4-2-1-3-13(14)19/h1-10H,(H,20,23)(H,21,24).
What are the key properties of 6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide?
6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).