N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide

C22H22FN3O3 — CID 159146451

IUPACN-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide
SMILESCOc1cccc(-c2ccc(=O)n(C(C)C(=O)N(C)c3cc(C)cc(F)c3)n2)c1
InChIInChI=1S/C22H22FN3O3/c1-14-10-17(23)13-18(11-14)25(3)22(28)15(2)26-21(27)9-8-20(24-26)16-6-5-7-19(12-16)29-4/h5-13,15H,1-4H3
InChIKeyBIGBXDSKSRTIIQ-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.59
Rot. Bonds5

About N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide

N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide (PubChem CID 159146451) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide
PubChem CID159146451
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide
SMILESCOc1cccc(-c2ccc(=O)n(C(C)C(=O)N(C)c3cc(C)cc(F)c3)n2)c1
InChIInChI=1S/C22H22FN3O3/c1-14-10-17(23)13-18(11-14)25(3)22(28)15(2)26-21(27)9-8-20(24-26)16-6-5-7-19(12-16)29-4/h5-13,15H,1-4H3
InChIKeyBIGBXDSKSRTIIQ-UHFFFAOYSA-N
XLogP3.59
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanoic acid
CID 139389914
N-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 142338864
6-(3-methoxyphenyl)-2-[3-oxo-4-[3-(trifluoromethyl)phenyl]butan-2-yl]pyridazin-3-one
CID 157415300
N-[4-(1,1-difluoroethyl)-2-fluorophenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 158133710
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
N-(2,5-difluorophenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051849
2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one
CID 51044276
ethyl 4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 7664984
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051851
6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one
CID 158622359
ethyl (2S)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanoate
CID 7660048
6-(3-methoxyphenyl)-2-[2-oxo-1-[4-(trifluoromethyl)phenyl]pentan-3-yl]pyridazin-3-one
CID 158719870

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide?
The IUPAC name of N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide (CID 159146451) is N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide is COc1cccc(-c2ccc(=O)n(C(C)C(=O)N(C)c3cc(C)cc(F)c3)n2)c1.
What is the InChIKey of N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide?
The InChIKey is BIGBXDSKSRTIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-14-10-17(23)13-18(11-14)25(3)22(28)15(2)26-21(27)9-8-20(24-26)16-6-5-7-19(12-16)29-4/h5-13,15H,1-4H3.
What are the key properties of N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide?
N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide has a molecular weight of 395.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 159146451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).