2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide

C21H26FN3O3 — CID 169318859

IUPAC2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCc1cccc(-c2cc(=O)n(CC(=O)NC3CC(C)(O)C3)nc2C(C)C)c1F
InChIInChI=1S/C21H26FN3O3/c1-12(2)20-16(15-7-5-6-13(3)19(15)22)8-18(27)25(24-20)11-17(26)23-14-9-21(4,28)10-14/h5-8,12,14,28H,9-11H2,1-4H3,(H,23,26)
InChIKeyGZCOEPVIFZVQBS-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide

2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (PubChem CID 169318859) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
PubChem CID169318859
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
SMILESCc1cccc(-c2cc(=O)n(CC(=O)NC3CC(C)(O)C3)nc2C(C)C)c1F
InChIInChI=1S/C21H26FN3O3/c1-12(2)20-16(15-7-5-6-13(3)19(15)22)8-18(27)25(24-20)11-17(26)23-14-9-21(4,28)10-14/h5-8,12,14,28H,9-11H2,1-4H3,(H,23,26)
InChIKeyGZCOEPVIFZVQBS-UHFFFAOYSA-N
XLogP2.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3295265
2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]-N-isopropylacetamide
CID 3224521
N-(Cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxo-1,6-dihydropyridazin-1-YL]acetamide
CID 3224533
N-[(2S)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-methylpropanamide
CID 46959327
2-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)-N-isopropylpropanamide
CID 49703636
N-[(2R)-1-[3-(3,4-difluorophenyl)-6-oxopyridazin-1-yl]butan-2-yl]-2-methylpropanamide
CID 92430815
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide
CID 53582508
6-(4-Fluoro-3-methylphenyl)-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 69497893
2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide
CID 162432213
2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
CID 162432245
N-[(3R)-1-cyclopropylpiperidin-3-yl]-2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetamide
CID 162432299
2-[3-cyclobutyl-4-(3-fluorophenyl)-6-oxopyridazin-1-yl]-N-(1-ethylpiperidin-3-yl)acetamide
CID 169318857

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The IUPAC name of 2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide (CID 169318859) is 2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide.
What is the SMILES notation for 2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The canonical SMILES for 2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is Cc1cccc(-c2cc(=O)n(CC(=O)NC3CC(C)(O)C3)nc2C(C)C)c1F.
What is the InChIKey of 2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
The InChIKey is GZCOEPVIFZVQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-12(2)20-16(15-7-5-6-13(3)19(15)22)8-18(27)25(24-20)11-17(26)23-14-9-21(4,28)10-14/h5-8,12,14,28H,9-11H2,1-4H3,(H,23,26).
What are the key properties of 2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide?
2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-3-methylphenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide is sourced from PubChem (CID 169318859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).