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

C19H16FN3O2 — CID 8871742

IUPAC1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1
InChIInChI=1S/C19H16FN3O2/c1-12-6-5-7-14(10-12)21-19(25)18-17(24)11-13(2)23(22-18)16-9-4-3-8-15(16)20/h3-11H,1-2H3,(H,21,25)
InChIKeyWPGPVZUBZRZVPD-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.24
Rot. Bonds3

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

1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 8871742) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID8871742
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1
InChIInChI=1S/C19H16FN3O2/c1-12-6-5-7-14(10-12)21-19(25)18-17(24)11-13(2)23(22-18)16-9-4-3-8-15(16)20/h3-11H,1-2H3,(H,21,25)
InChIKeyWPGPVZUBZRZVPD-UHFFFAOYSA-N
XLogP3.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide (CID 8871742) is 1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide is Cc1cccc(NC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)c1.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is WPGPVZUBZRZVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c1-12-6-5-7-14(10-12)21-19(25)18-17(24)11-13(2)23(22-18)16-9-4-3-8-15(16)20/h3-11H,1-2H3,(H,21,25).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-N-(3-methylphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 3.24, 3 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-methylphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8871742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).