6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide

C21H22N4O2 — CID 109120300

IUPAC6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCCc1ccc(Nc2ccc(C(=O)NCc3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-3-15-4-8-17(9-5-15)23-20-13-12-19(24-25-20)21(26)22-14-16-6-10-18(27-2)11-7-16/h4-13H,3,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyZCEUETXKSVCIOR-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.72
Rot. Bonds7

About 6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide

6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 109120300) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID109120300
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCCc1ccc(Nc2ccc(C(=O)NCc3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C21H22N4O2/c1-3-15-4-8-17(9-5-15)23-20-13-12-19(24-25-20)21(26)22-14-16-6-10-18(27-2)11-7-16/h4-13H,3,14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyZCEUETXKSVCIOR-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109119926
6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118657
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120311
6-(4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122416
N-[2-(4-methoxyphenyl)ethyl]-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109122527
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
5-(4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282451
N-[(4-methoxyphenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114105
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129362
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide (CID 109120300) is 6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide is CCc1ccc(Nc2ccc(C(=O)NCc3ccc(OC)cc3)nn2)cc1.
What is the InChIKey of 6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is ZCEUETXKSVCIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-15-4-8-17(9-5-15)23-20-13-12-19(24-25-20)21(26)22-14-16-6-10-18(27-2)11-7-16/h4-13H,3,14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide?
6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109120300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).