2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide

C17H18ClN3O3 — CID 162432261

IUPAC2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCC1(O)CC(NC(=O)Cn2nc(Cl)c(-c3ccccc3)cc2=O)C1
InChIInChI=1S/C17H18ClN3O3/c1-17(24)8-12(9-17)19-14(22)10-21-15(23)7-13(16(18)20-21)11-5-3-2-4-6-11/h2-7,12,24H,8-10H2,1H3,(H,19,22)
InChIKeyPBBFATXETUOEIH-UHFFFAOYSA-N
MW347.80 g/mol
LogP1.59
Rot. Bonds4

About 2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide

2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide (PubChem CID 162432261) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
PubChem CID162432261
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCC1(O)CC(NC(=O)Cn2nc(Cl)c(-c3ccccc3)cc2=O)C1
InChIInChI=1S/C17H18ClN3O3/c1-17(24)8-12(9-17)19-14(22)10-21-15(23)7-13(16(18)20-21)11-5-3-2-4-6-11/h2-7,12,24H,8-10H2,1H3,(H,19,22)
InChIKeyPBBFATXETUOEIH-UHFFFAOYSA-N
XLogP1.59
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,3-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318858
2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318859
2-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318861
2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318866
2-[4-(2-fluoro-5-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318867
2-[4-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318872
2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318874
2-[4-(2-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318882
N-(3-hydroxy-3-methylcyclobutyl)-2-[6-oxo-3-propan-2-yl-4-[3-(trifluoromethyl)phenyl]pyridazin-1-yl]acetamide
CID 169318889
N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
CID 162432189
N-(3-hydroxy-3-methylcyclobutyl)-2-(3-methoxy-6-oxo-4-phenylpyridazin-1-yl)acetamide
CID 162432200
2-(3-ethoxy-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 162432217

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The IUPAC name of 2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide (CID 162432261) is 2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide is CC1(O)CC(NC(=O)Cn2nc(Cl)c(-c3ccccc3)cc2=O)C1.
What is the InChIKey of 2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The InChIKey is PBBFATXETUOEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-17(24)8-12(9-17)19-14(22)10-21-15(23)7-13(16(18)20-21)11-5-3-2-4-6-11/h2-7,12,24H,8-10H2,1H3,(H,19,22).
What are the key properties of 2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide has a molecular weight of 347.80 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-oxo-4-phenylpyridazin-1-yl)-N-(3-hydroxy-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 162432261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).