6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide

C21H20N4O3 — CID 109129575

IUPAC6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C21H20N4O3/c1-13-7-9-19(28-3)18(11-13)23-21(27)17-8-10-20(25-24-17)22-16-6-4-5-15(12-16)14(2)26/h4-12H,1-3H3,(H,22,25)(H,23,27)
InChIKeyXMSSFNYSZCZIRQ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.99
Rot. Bonds6

About 6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide

6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide (PubChem CID 109129575) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
PubChem CID109129575
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C21H20N4O3/c1-13-7-9-19(28-3)18(11-13)23-21(27)17-8-10-20(25-24-17)22-16-6-4-5-15(12-16)14(2)26/h4-12H,1-3H3,(H,22,25)(H,23,27)
InChIKeyXMSSFNYSZCZIRQ-UHFFFAOYSA-N
XLogP3.99
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109293781
N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127587
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
6-(4-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129591
methyl 3-[[6-[(2,4-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127560
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
methyl 3-[[6-(2,5-dimethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127592
N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109129563
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
N-(2-methoxy-5-methylphenyl)-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118309

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide (CID 109129575) is 6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide is COc1ccc(C)cc1NC(=O)c1ccc(Nc2cccc(C(C)=O)c2)nn1.
What is the InChIKey of 6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
The InChIKey is XMSSFNYSZCZIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-7-9-19(28-3)18(11-13)23-21(27)17-8-10-20(25-24-17)22-16-6-4-5-15(12-16)14(2)26/h4-12H,1-3H3,(H,22,25)(H,23,27).
What are the key properties of 6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide?
6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).