N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H12FN3O2 — CID 113351750

IUPACN-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)C2=NNC(=O)CC2)c1F
InChIInChI=1S/C12H12FN3O2/c1-7-3-2-4-8(11(7)13)14-12(18)9-5-6-10(17)16-15-9/h2-4H,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyAOWIKWGDCMMIQF-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.34
Rot. Bonds2

About N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 113351750) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID113351750
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC NameN-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)C2=NNC(=O)CC2)c1F
InChIInChI=1S/C12H12FN3O2/c1-7-3-2-4-8(11(7)13)14-12(18)9-5-6-10(17)16-15-9/h2-4H,5-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyAOWIKWGDCMMIQF-UHFFFAOYSA-N
XLogP1.34
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258347
6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43402110
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenoxy]acetic acid
CID 63747208
N-(2-cyano-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 82016159
3-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43358146
6-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258857
N-(2-morpholin-4-ylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 2815283
6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60659704
N-(5-methyl-1,2-oxazol-3-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43401158
5-iodo-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]benzoic acid
CID 63111270

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 113351750) is N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1cccc(NC(=O)C2=NNC(=O)CC2)c1F.
What is the InChIKey of N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is AOWIKWGDCMMIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-3-2-4-8(11(7)13)14-12(18)9-5-6-10(17)16-15-9/h2-4H,5-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113351750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).