2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide

C22H24N4O3 — CID 113041197

IUPAC2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC(C)c3ccccc3)nn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-15(17-7-5-4-6-8-17)23-20-11-12-21(26-25-20)24-22(27)14-16-9-10-18(28-2)19(13-16)29-3/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,26,27)
InChIKeySSBYHKDWBXLBBO-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.85
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide (PubChem CID 113041197) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
PubChem CID113041197
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(NC(C)c3ccccc3)nn2)cc1OC
InChIInChI=1S/C22H24N4O3/c1-15(17-7-5-4-6-8-17)23-20-11-12-21(26-25-20)24-22(27)14-16-9-10-18(28-2)19(13-16)29-3/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,26,27)
InChIKeySSBYHKDWBXLBBO-UHFFFAOYSA-N
XLogP3.85
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
CID 113037967
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2391402
2-(3,4-dimethoxyphenyl)-N-(1,1-diphenylpropan-2-yl)acetamide
CID 46431995
3,5-dimethoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041180
2-(3,4-dimethoxyphenyl)-N-[6-(3-methoxyanilino)pyridazin-3-yl]acetamide
CID 113048221
4-methoxy-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041179
2-(3,4-dimethoxyphenyl)-N-[6-(2,3-dimethylanilino)pyridazin-3-yl]acetamide
CID 113046587
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide (CID 113041197) is 2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide is COc1ccc(CC(=O)Nc2ccc(NC(C)c3ccccc3)nn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide?
The InChIKey is SSBYHKDWBXLBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(17-7-5-4-6-8-17)23-20-11-12-21(26-25-20)24-22(27)14-16-9-10-18(28-2)19(13-16)29-3/h4-13,15H,14H2,1-3H3,(H,23,25)(H,24,26,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113041197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).