6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide

C19H16ClN5O2 — CID 109128783

IUPAC6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)Nc3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C19H16ClN5O2/c1-12(26)21-14-6-8-15(9-7-14)22-18-11-10-17(24-25-18)19(27)23-16-4-2-13(20)3-5-16/h2-11H,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyHLSSNDFTRNYTGK-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.08
Rot. Bonds5

About 6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide

6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide (PubChem CID 109128783) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
PubChem CID109128783
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)Nc3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C19H16ClN5O2/c1-12(26)21-14-6-8-15(9-7-14)22-18-11-10-17(24-25-18)19(27)23-16-4-2-13(20)3-5-16/h2-11H,1H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyHLSSNDFTRNYTGK-UHFFFAOYSA-N
XLogP4.08
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
CID 109129904
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109128614
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide
CID 109128262

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide (CID 109128783) is 6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide is CC(=O)Nc1ccc(Nc2ccc(C(=O)Nc3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide?
The InChIKey is HLSSNDFTRNYTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-12(26)21-14-6-8-15(9-7-14)22-18-11-10-17(24-25-18)19(27)23-16-4-2-13(20)3-5-16/h2-11H,1H3,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of 6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide?
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).