6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide

C21H22N4O2 — CID 109128272

IUPAC6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)Nc2c(C)cc(C)cc2C)nn1
InChIInChI=1S/C21H22N4O2/c1-13-11-14(2)20(15(3)12-13)23-21(26)17-9-10-19(25-24-17)22-16-7-5-6-8-18(16)27-4/h5-12H,1-4H3,(H,22,25)(H,23,26)
InChIKeyWGJATZZZPXYDTK-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.41
Rot. Bonds5

About 6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide

6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide (PubChem CID 109128272) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
PubChem CID109128272
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
SMILESCOc1ccccc1Nc1ccc(C(=O)Nc2c(C)cc(C)cc2C)nn1
InChIInChI=1S/C21H22N4O2/c1-13-11-14(2)20(15(3)12-13)23-21(26)17-9-10-19(25-24-17)22-16-7-5-6-8-18(16)27-4/h5-12H,1-4H3,(H,22,25)(H,23,26)
InChIKeyWGJATZZZPXYDTK-UHFFFAOYSA-N
XLogP4.41
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150
N-(2,4-dichlorophenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129176
6-(2,5-dimethoxyanilino)-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129198
N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109128331
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109123487
N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109129563
N-(1,3-benzodioxol-5-yl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129169
6-(2,4-dimethoxyanilino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127745
6-(2,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridazine-3-carboxamide
CID 109127873
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128448
N-(2-chloro-4,6-dimethylphenyl)-2-(2-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337379

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide (CID 109128272) is 6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide is COc1ccccc1Nc1ccc(C(=O)Nc2c(C)cc(C)cc2C)nn1.
What is the InChIKey of 6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
The InChIKey is WGJATZZZPXYDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-11-14(2)20(15(3)12-13)23-21(26)17-9-10-19(25-24-17)22-16-7-5-6-8-18(16)27-4/h5-12H,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide?
6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).