2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide

C25H28N4O2 — CID 7658916

IUPAC2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(N3CCCCC3)cc2)ccc1=O)NCCc1ccccc1
InChIInChI=1S/C25H28N4O2/c30-24(26-16-15-20-7-3-1-4-8-20)19-29-25(31)14-13-23(27-29)21-9-11-22(12-10-21)28-17-5-2-6-18-28/h1,3-4,7-14H,2,5-6,15-19H2,(H,26,30)
InChIKeyFTIZVUMGIIXFBW-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.26
Rot. Bonds7

About 2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide

2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 7658916) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID7658916
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc(-c2ccc(N3CCCCC3)cc2)ccc1=O)NCCc1ccccc1
InChIInChI=1S/C25H28N4O2/c30-24(26-16-15-20-7-3-1-4-8-20)19-29-25(31)14-13-23(27-29)21-9-11-22(12-10-21)28-17-5-2-6-18-28/h1,3-4,7-14H,2,5-6,15-19H2,(H,26,30)
InChIKeyFTIZVUMGIIXFBW-UHFFFAOYSA-N
XLogP3.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
N-[(2-methoxyphenyl)methyl]-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 41376649
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55840453
2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
CID 51052835
N-(3-fluoro-4-methylphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 7658936
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 121051486
N-(3,5-dimethoxyphenyl)-2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]acetamide
CID 41376654
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6620516
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 121051243
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 121050686
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide (CID 7658916) is 2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1nc(-c2ccc(N3CCCCC3)cc2)ccc1=O)NCCc1ccccc1.
What is the InChIKey of 2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is FTIZVUMGIIXFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24(26-16-15-20-7-3-1-4-8-20)19-29-25(31)14-13-23(27-29)21-9-11-22(12-10-21)28-17-5-2-6-18-28/h1,3-4,7-14H,2,5-6,15-19H2,(H,26,30).
What are the key properties of 2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 416.53 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxo-3-(4-piperidin-1-ylphenyl)pyridazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 7658916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).