1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide

C20H17FN4O4 — CID 27443516

IUPAC1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C20H17FN4O4/c1-29-16-7-5-14(6-8-16)23-20(28)17-9-10-19(27)25(24-17)12-18(26)22-15-4-2-3-13(21)11-15/h2-11H,12H2,1H3,(H,22,26)(H,23,28)
InChIKeyUUQCEISFVPBRJB-UHFFFAOYSA-N
MW396.38 g/mol
LogP2.28
Rot. Bonds6

About 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide

1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 27443516) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID27443516
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3cccc(F)c3)n2)cc1
InChIInChI=1S/C20H17FN4O4/c1-29-16-7-5-14(6-8-16)23-20(28)17-9-10-19(27)25(24-17)12-18(26)22-15-4-2-3-13(21)11-15/h2-11H,12H2,1H3,(H,22,26)(H,23,28)
InChIKeyUUQCEISFVPBRJB-UHFFFAOYSA-N
XLogP2.28
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247883
N-(3,4-dimethylphenyl)-1-[2-(3-methoxyanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 41248044
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247653
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 26845085
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 41248050
6-oxo-1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-N-phenylpyridazine-3-carboxamide
CID 26845038
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3-fluorophenyl)acetamide
CID 122278424
1-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 41247979
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190539
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247819
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 29098002

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide (CID 27443516) is 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3cccc(F)c3)n2)cc1.
What is the InChIKey of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is UUQCEISFVPBRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c1-29-16-7-5-14(6-8-16)23-20(28)17-9-10-19(27)25(24-17)12-18(26)22-15-4-2-3-13(21)11-15/h2-11H,12H2,1H3,(H,22,26)(H,23,28).
What are the key properties of 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide?
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 396.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27443516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).