6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide

C21H22N4O3 — CID 109127745

IUPAC6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)nn2)c(OC)c1
InChIInChI=1S/C21H22N4O3/c1-13-9-14(2)11-15(10-13)22-21(26)18-7-8-20(25-24-18)23-17-6-5-16(27-3)12-19(17)28-4/h5-12H,1-4H3,(H,22,26)(H,23,25)
InChIKeyFWERGGSXRFDQCA-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.11
Rot. Bonds6

About 6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide

6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide (PubChem CID 109127745) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
PubChem CID109127745
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)nn2)c(OC)c1
InChIInChI=1S/C21H22N4O3/c1-13-9-14(2)11-15(10-13)22-21(26)18-7-8-20(25-24-18)23-17-6-5-16(27-3)12-19(17)28-4/h5-12H,1-4H3,(H,22,26)(H,23,25)
InChIKeyFWERGGSXRFDQCA-UHFFFAOYSA-N
XLogP4.11
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129294
N-(3-chloro-4-methylphenyl)-6-(2,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109128978
6-(2,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridazine-3-carboxamide
CID 109127873
6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109731
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
6-(2-methoxy-5-methylanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129383
6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109128741
6-(2,5-dimethoxyanilino)-N-(3,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127680
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
6-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129462
6-(3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129706
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide (CID 109127745) is 6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)nn2)c(OC)c1.
What is the InChIKey of 6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide?
The InChIKey is FWERGGSXRFDQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-9-14(2)11-15(10-13)22-21(26)18-7-8-20(25-24-18)23-17-6-5-16(27-3)12-19(17)28-4/h5-12H,1-4H3,(H,22,26)(H,23,25).
What are the key properties of 6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide?
6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109127745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).