6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide

C20H20N4O4 — CID 109129388

IUPAC6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(OC)c(OC)c3)nn2)cc1
InChIInChI=1S/C20H20N4O4/c1-26-15-7-4-13(5-8-15)22-20(25)16-9-11-19(24-23-16)21-14-6-10-17(27-2)18(12-14)28-3/h4-12H,1-3H3,(H,21,24)(H,22,25)
InChIKeyGKKYEELEDUWAKW-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.50
Rot. Bonds7

About 6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide

6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109129388) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
PubChem CID109129388
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3ccc(OC)c(OC)c3)nn2)cc1
InChIInChI=1S/C20H20N4O4/c1-26-15-7-4-13(5-8-15)22-20(25)16-9-11-19(24-23-16)21-14-6-10-17(27-2)18(12-14)28-3/h4-12H,1-3H3,(H,21,24)(H,22,25)
InChIKeyGKKYEELEDUWAKW-UHFFFAOYSA-N
XLogP3.50
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109129724
6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129399
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
6-(2,5-dimethoxyanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127680
N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109129713
6-(2,4-dichloroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129412
6-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129733
6-(tert-butylamino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109124776
6-(4-bromo-3,5-dimethoxyanilino)-N-phenylpyridazine-3-carboxamide
CID 133435107

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide (CID 109129388) is 6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3ccc(OC)c(OC)c3)nn2)cc1.
What is the InChIKey of 6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is GKKYEELEDUWAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-26-15-7-4-13(5-8-15)22-20(25)16-9-11-19(24-23-16)21-14-6-10-17(27-2)18(12-14)28-3/h4-12H,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide?
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).