N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide

C22H21FN4O3 — CID 27518001

IUPACN-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)ccc1C
InChIInChI=1S/C22H21FN4O3/c1-3-20(28)25-19-12-15(5-4-14(19)2)18-10-11-22(30)27(26-18)13-21(29)24-17-8-6-16(23)7-9-17/h4-12H,3,13H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyOFLSWDIMRYPCEF-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.35
Rot. Bonds6

About N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide

N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide (PubChem CID 27518001) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
PubChem CID27518001
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC NameN-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
SMILESCCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)ccc1C
InChIInChI=1S/C22H21FN4O3/c1-3-20(28)25-19-12-15(5-4-14(19)2)18-10-11-22(30)27(26-18)13-21(29)24-17-8-6-16(23)7-9-17/h4-12H,3,13H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyOFLSWDIMRYPCEF-UHFFFAOYSA-N
XLogP3.35
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-[2-(2,4-difluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 25249906
N-[2-methyl-5-[6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridazin-3-yl]phenyl]propanamide
CID 27260731
N-[5-[1-[2-(2-chloro-6-methylanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27261976
ethyl 4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7664475
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7662136
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27262241
N-(4-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052752
4-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51044126
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25249869
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 27266322

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide?
The IUPAC name of N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide (CID 27518001) is N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide.
What is the SMILES notation for N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide?
The canonical SMILES for N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide is CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3ccc(F)cc3)n2)ccc1C.
What is the InChIKey of N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide?
The InChIKey is OFLSWDIMRYPCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-3-20(28)25-19-12-15(5-4-14(19)2)18-10-11-22(30)27(26-18)13-21(29)24-17-8-6-16(23)7-9-17/h4-12H,3,13H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide?
N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide has a molecular weight of 408.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide is sourced from PubChem (CID 27518001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).