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

C21H20N4O3 — CID 113049153

IUPACN-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccc(C(C)=O)cc3)nn2)cc1
InChIInChI=1S/C21H20N4O3/c1-14(26)16-5-7-17(8-6-16)22-19-11-12-20(25-24-19)23-21(27)13-15-3-9-18(28-2)10-4-15/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25,27)
InChIKeyBWEIAYLJVKGXQN-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.61
Rot. Bonds7

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

N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 113049153) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID113049153
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccc(C(C)=O)cc3)nn2)cc1
InChIInChI=1S/C21H20N4O3/c1-14(26)16-5-7-17(8-6-16)22-19-11-12-20(25-24-19)23-21(27)13-15-3-9-18(28-2)10-4-15/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25,27)
InChIKeyBWEIAYLJVKGXQN-UHFFFAOYSA-N
XLogP3.61
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide
CID 113046976
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
methyl 4-[[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049499
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
CID 113049122
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113046657
N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113049126
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
2-(4-methoxyphenyl)-N-[6-(propylamino)pyridazin-3-yl]acetamide
CID 113037821
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
CID 113049292

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide (CID 113049153) is N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3ccc(C(C)=O)cc3)nn2)cc1.
What is the InChIKey of N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is BWEIAYLJVKGXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-14(26)16-5-7-17(8-6-16)22-19-11-12-20(25-24-19)23-21(27)13-15-3-9-18(28-2)10-4-15/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25,27).
What are the key properties of N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide?
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 113049153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).