2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide

C17H22N4O2 — CID 113048284

IUPAC2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(OC)cc2)nn1
InChIInChI=1S/C17H22N4O2/c1-4-12(5-2)17(22)19-16-11-10-15(20-21-16)18-13-6-8-14(23-3)9-7-13/h6-12H,4-5H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyQSFQAVOTTOVLLM-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.60
Rot. Bonds7

About 2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide

2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide (PubChem CID 113048284) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
PubChem CID113048284
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(OC)cc2)nn1
InChIInChI=1S/C17H22N4O2/c1-4-12(5-2)17(22)19-16-11-10-15(20-21-16)18-13-6-8-14(23-3)9-7-13/h6-12H,4-5H2,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyQSFQAVOTTOVLLM-UHFFFAOYSA-N
XLogP3.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[6-(2-ethylbutanoylamino)pyridazin-3-yl]amino]benzoate
CID 113049466
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
2-ethyl-N-[6-(3,4,5-trimethoxyanilino)pyridazin-3-yl]butanamide
CID 113050576
1-[6-(4-methoxyanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113048339
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113048454
2-(4-methoxyphenyl)-N-[6-(4-propan-2-ylanilino)pyridazin-3-yl]acetamide
CID 113046976
2,6-dimethoxy-N-[6-(4-methoxyanilino)pyridazin-3-yl]benzamide
CID 113048302
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
2-ethyl-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]butanamide
CID 113051710
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide?
The IUPAC name of 2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide (CID 113048284) is 2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide is CCC(CC)C(=O)Nc1ccc(Nc2ccc(OC)cc2)nn1.
What is the InChIKey of 2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide?
The InChIKey is QSFQAVOTTOVLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-12(5-2)17(22)19-16-11-10-15(20-21-16)18-13-6-8-14(23-3)9-7-13/h6-12H,4-5H2,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of 2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide?
2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide has a molecular weight of 314.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113048284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).