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

C12H12FN3O2 — CID 2814948

IUPACN-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=NNC(=O)CC2)cc1F
InChIInChI=1S/C12H12FN3O2/c1-7-2-3-8(6-9(7)13)14-12(18)10-4-5-11(17)16-15-10/h2-3,6H,4-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyPXYRSQGMTXMBNP-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.34
Rot. Bonds2

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

N-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 2814948) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID2814948
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC NameN-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)C2=NNC(=O)CC2)cc1F
InChIInChI=1S/C12H12FN3O2/c1-7-2-3-8(6-9(7)13)14-12(18)10-4-5-11(17)16-15-10/h2-3,6H,4-5H2,1H3,(H,14,18)(H,16,17)
InChIKeyPXYRSQGMTXMBNP-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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 2814948) is N-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1ccc(NC(=O)C2=NNC(=O)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is PXYRSQGMTXMBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-2-3-8(6-9(7)13)14-12(18)10-4-5-11(17)16-15-10/h2-3,6H,4-5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 2814948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).