1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide

C20H23FN4O3 — CID 55634816

IUPAC1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H23FN4O3/c1-13(2)20(28)24-11-9-15(10-12-24)22-19(27)17-7-8-18(26)25(23-17)16-5-3-14(21)4-6-16/h3-8,13,15H,9-12H2,1-2H3,(H,22,27)
InChIKeyVYFWIJBIOLWUAP-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.75
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide

1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide (PubChem CID 55634816) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide
PubChem CID55634816
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide
SMILESCC(C)C(=O)N1CCC(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H23FN4O3/c1-13(2)20(28)24-11-9-15(10-12-24)22-19(27)17-7-8-18(26)25(23-17)16-5-3-14(21)4-6-16/h3-8,13,15H,9-12H2,1-2H3,(H,22,27)
InChIKeyVYFWIJBIOLWUAP-UHFFFAOYSA-N
XLogP1.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-(2-methylpiperidin-4-yl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120597820
N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55631027
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847
2-(4-fluorophenyl)-6-[(3S)-3-(methylamino)piperidine-1-carbonyl]pyridazin-3-one
CID 124574819
6-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-(4-fluorophenyl)pyridazin-3-one
CID 119593433
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119613631
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876
(2S,3S)-2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119194132
N-cyclohexyl-4-[3-(4-fluorophenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323684
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
4-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 32584074
N-cyclooctyl-1-(4-fluorophenyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 47089546

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide (CID 55634816) is 1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide is CC(C)C(=O)N1CCC(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide?
The InChIKey is VYFWIJBIOLWUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-13(2)20(28)24-11-9-15(10-12-24)22-19(27)17-7-8-18(26)25(23-17)16-5-3-14(21)4-6-16/h3-8,13,15H,9-12H2,1-2H3,(H,22,27).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide?
1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55634816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).