1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide

C17H19FN4O3 — CID 9092438

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
SMILESCCCNC(=O)CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C17H19FN4O3/c1-3-8-19-15(24)10-20-17(25)16-14(23)9-11(2)22(21-16)13-7-5-4-6-12(13)18/h4-7,9H,3,8,10H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyWPCGLISEZQUVIL-UHFFFAOYSA-N
MW346.36 g/mol
LogP0.94
Rot. Bonds6

About 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide (PubChem CID 9092438) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
PubChem CID9092438
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
SMILESCCCNC(=O)CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C17H19FN4O3/c1-3-8-19-15(24)10-20-17(25)16-14(23)9-11(2)22(21-16)13-7-5-4-6-12(13)18/h4-7,9H,3,8,10H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyWPCGLISEZQUVIL-UHFFFAOYSA-N
XLogP0.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
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CID 55545731
6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide
CID 27256280
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
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1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride
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1-(2-fluorophenyl)-5-methyl-N-[2-oxo-2-(propylamino)ethyl]pyrazole-4-carboxamide
CID 134026091
1-(2-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 9091973
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide (CID 9092438) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide is CCCNC(=O)CNC(=O)c1nn(-c2ccccc2F)c(C)cc1=O.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide?
The InChIKey is WPCGLISEZQUVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-3-8-19-15(24)10-20-17(25)16-14(23)9-11(2)22(21-16)13-7-5-4-6-12(13)18/h4-7,9H,3,8,10H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 9092438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).