2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide

C25H28N4O4S — CID 50745234

IUPAC2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide
SMILESCc1ccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccccc3)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H28N4O4S/c1-18-11-12-20(17-23(18)34(32,33)28-15-7-4-8-16-28)22-13-14-24(30)29(27-22)19(2)25(31)26-21-9-5-3-6-10-21/h3,5-6,9-14,17,19H,4,7-8,15-16H2,1-2H3,(H,26,31)
InChIKeyOWMZARBQESHGMH-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.59
Rot. Bonds6

About 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide

2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide (PubChem CID 50745234) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide
PubChem CID50745234
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide
SMILESCc1ccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccccc3)n2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C25H28N4O4S/c1-18-11-12-20(17-23(18)34(32,33)28-15-7-4-8-16-28)22-13-14-24(30)29(27-22)19(2)25(31)26-21-9-5-3-6-10-21/h3,5-6,9-14,17,19H,4,7-8,15-16H2,1-2H3,(H,26,31)
InChIKeyOWMZARBQESHGMH-UHFFFAOYSA-N
XLogP3.59
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735719
2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 23611786
2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-one
CID 23611710
N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611722
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 92627242
N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611770
(2R)-N-(4-methylphenyl)-2-[3-[4-methyl-3-(propanoylamino)phenyl]-6-oxopyridazin-1-yl]propanamide
CID 27262351
N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 50744781
(2R)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylpropanamide
CID 8512316
2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
(2S)-N-(2-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735308

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide?
The IUPAC name of 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide (CID 50745234) is 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide is Cc1ccc(-c2ccc(=O)n(C(C)C(=O)Nc3ccccc3)n2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide?
The InChIKey is OWMZARBQESHGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-18-11-12-20(17-23(18)34(32,33)28-15-7-4-8-16-28)22-13-14-24(30)29(27-22)19(2)25(31)26-21-9-5-3-6-10-21/h3,5-6,9-14,17,19H,4,7-8,15-16H2,1-2H3,(H,26,31).
What are the key properties of 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide?
2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide has a molecular weight of 480.59 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 50745234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).