6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide

C21H22N4O2 — CID 109118657

IUPAC6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-3-27-18-10-8-17(9-11-18)23-20-13-12-19(24-25-20)21(26)22-14-16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyADPAVTZCLMWUFE-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.86
Rot. Bonds7

About 6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide

6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109118657) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
PubChem CID109118657
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCCOc1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-3-27-18-10-8-17(9-11-18)23-20-13-12-19(24-25-20)21(26)22-14-16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyADPAVTZCLMWUFE-UHFFFAOYSA-N
XLogP3.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120300
N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
CID 109110899
N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109119926
N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120843
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109127582
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109348808
N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109423
6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109119854

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide (CID 109118657) is 6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide is CCOc1ccc(Nc2ccc(C(=O)NCc3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is ADPAVTZCLMWUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-27-18-10-8-17(9-11-18)23-20-13-12-19(24-25-20)21(26)22-14-16-6-4-15(2)5-7-16/h4-13H,3,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide?
6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109118657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).