1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide

C17H20FN3O2 — CID 26689309

IUPAC1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCC(C)C)nn1-c1ccccc1F
InChIInChI=1S/C17H20FN3O2/c1-11(2)8-9-19-17(23)16-15(22)10-12(3)21(20-16)14-7-5-4-6-13(14)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)
InChIKeyRTHPXMCEYMRZHI-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.46
Rot. Bonds5

About 1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide (PubChem CID 26689309) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
PubChem CID26689309
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCCC(C)C)nn1-c1ccccc1F
InChIInChI=1S/C17H20FN3O2/c1-11(2)8-9-19-17(23)16-15(22)10-12(3)21(20-16)14-7-5-4-6-13(14)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,23)
InChIKeyRTHPXMCEYMRZHI-UHFFFAOYSA-N
XLogP2.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
(2S)-2-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119360996
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9291779
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]pyridazine-3-carboxamide
CID 55545731
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 119598982
2-[2-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532263
N-(3-aminobutyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119494839
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride
CID 119447197
N-[4-(4-bromophenyl)butan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 60566439

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide (CID 26689309) is 1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCCC(C)C)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is RTHPXMCEYMRZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11(2)8-9-19-17(23)16-15(22)10-12(3)21(20-16)14-7-5-4-6-13(14)18/h4-7,10-11H,8-9H2,1-3H3,(H,19,23).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26689309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).