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

C12H10FN3O2 — CID 31456332

IUPACN-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H10FN3O2/c1-7-6-8(13)2-3-9(7)14-12(18)10-4-5-11(17)16-15-10/h2-6H,1H3,(H,14,18)(H,16,17)
InChIKeyUNQHTXMQGWFTTD-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.47
Rot. Bonds2

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

N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 31456332) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID31456332
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC NameN-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H10FN3O2/c1-7-6-8(13)2-3-9(7)14-12(18)10-4-5-11(17)16-15-10/h2-6H,1H3,(H,14,18)(H,16,17)
InChIKeyUNQHTXMQGWFTTD-UHFFFAOYSA-N
XLogP1.47
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
N-(4-fluoro-2-iodophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103737179
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8840517
N-(4-fluoro-2-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55741810
N-(4-fluoro-2-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642384
N-(4-cyano-2-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103822749
6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
CID 103603355
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432
N-(4-fluoro-2-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18076741
N-[(2S)-2-[(4-fluoro-2-methylphenyl)methyl]-3-(methylamino)-3-oxopropyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 164636887
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040790

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 31456332) is N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide is Cc1cc(F)ccc1NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is UNQHTXMQGWFTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-7-6-8(13)2-3-9(7)14-12(18)10-4-5-11(17)16-15-10/h2-6H,1H3,(H,14,18)(H,16,17).
What are the key properties of N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 247.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 31456332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).