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

C21H22N4O2 — CID 113046657

IUPACN-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)Cc2ccc(OC)cc2)nn1
InChIInChI=1S/C21H22N4O2/c1-3-16-6-4-5-7-18(16)22-19-12-13-20(25-24-19)23-21(26)14-15-8-10-17(27-2)11-9-15/h4-13H,3,14H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyVSJMLEGWFMOFDU-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.97
Rot. Bonds7

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

N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113046657) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID113046657
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)Cc2ccc(OC)cc2)nn1
InChIInChI=1S/C21H22N4O2/c1-3-16-6-4-5-7-18(16)22-19-12-13-20(25-24-19)23-21(26)14-15-8-10-17(27-2)11-9-15/h4-13H,3,14H2,1-2H3,(H,22,24)(H,23,25,26)
InChIKeyVSJMLEGWFMOFDU-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-ethylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113046649
N-[6-(2-ethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046648
2-(4-methoxyphenyl)-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113040895
N-[6-(2-ethylanilino)pyridazin-3-yl]pentanamide
CID 113046636
2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
6-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109124679
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113046653
2-(4-methoxyphenyl)-N-[6-(N-methylanilino)pyridazin-3-yl]acetamide
CID 113045943
2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide
CID 113046976
2-(4-chlorophenyl)-N-[6-(2,5-dimethoxyanilino)pyridazin-3-yl]acetamide
CID 113048759
1-[6-(2-ethylanilino)pyridazin-3-yl]-3-phenylurea
CID 113046668

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide (CID 113046657) is N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide is CCc1ccccc1Nc1ccc(NC(=O)Cc2ccc(OC)cc2)nn1.
What is the InChIKey of N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is VSJMLEGWFMOFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-16-6-4-5-7-18(16)22-19-12-13-20(25-24-19)23-21(26)14-15-8-10-17(27-2)11-9-15/h4-13H,3,14H2,1-2H3,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113046657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).