N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide

C21H22N4O — CID 113046832

IUPACN-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCCN(c1ccccc1)c1ccc(NC(=O)Cc2ccc(C)cc2)nn1
InChIInChI=1S/C21H22N4O/c1-3-25(18-7-5-4-6-8-18)20-14-13-19(23-24-20)22-21(26)15-17-11-9-16(2)10-12-17/h4-14H,3,15H2,1-2H3,(H,22,23,26)
InChIKeyBBBOMOWKUXEOHS-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.12
Rot. Bonds6

About N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide

N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 113046832) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
PubChem CID113046832
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
SMILESCCN(c1ccccc1)c1ccc(NC(=O)Cc2ccc(C)cc2)nn1
InChIInChI=1S/C21H22N4O/c1-3-25(18-7-5-4-6-8-18)20-14-13-19(23-24-20)22-21(26)15-17-11-9-16(2)10-12-17/h4-14H,3,15H2,1-2H3,(H,22,23,26)
InChIKeyBBBOMOWKUXEOHS-UHFFFAOYSA-N
XLogP4.12
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(2-methylphenyl)acetamide
CID 113046830
N-[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113051425
2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide
CID 113045943
2-(4-methylphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041210
2-(4-chlorophenyl)-N-[6-(diethylamino)pyridazin-3-yl]acetamide
CID 113043990
N-[5-(N-ethyl-3-methylanilino)-2-pyridinyl]-2-phenylacetamide
CID 113037370
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
N-[6-(N-ethylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113046847
N-[6-(2-bromoanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113050061
N-(6-ethylpyridazin-3-yl)-2-phenylacetamide
CID 123748541
2-phenyl-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037818
N-(6-fluoro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 113456880

Frequently Asked Questions

What is the IUPAC name of N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide (CID 113046832) is N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide is CCN(c1ccccc1)c1ccc(NC(=O)Cc2ccc(C)cc2)nn1.
What is the InChIKey of N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is BBBOMOWKUXEOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-25(18-7-5-4-6-8-18)20-14-13-19(23-24-20)22-21(26)15-17-11-9-16(2)10-12-17/h4-14H,3,15H2,1-2H3,(H,22,23,26).
What are the key properties of N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide?
N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(N-ethylanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113046832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).