6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide

C19H17N3O2S — CID 8810913

IUPAC6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCSc1ccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1
InChIInChI=1S/C19H17N3O2S/c1-13-12-17(23)18(21-22(13)15-6-4-3-5-7-15)19(24)20-14-8-10-16(25-2)11-9-14/h3-12H,1-2H3,(H,20,24)
InChIKeyDPNWGPXEIPQMPB-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.52
Rot. Bonds4

About 6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide

6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 8810913) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID8810913
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCSc1ccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1
InChIInChI=1S/C19H17N3O2S/c1-13-12-17(23)18(21-22(13)15-6-4-3-5-7-15)19(24)20-14-8-10-16(25-2)11-9-14/h3-12H,1-2H3,(H,20,24)
InChIKeyDPNWGPXEIPQMPB-UHFFFAOYSA-N
XLogP3.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-6-methyl-N-(4-methylsulfanylphenyl)-4-oxopyridazine-3-carboxamide
CID 9180345
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
N-[4-(cyanomethyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27163514
6-methyl-4-oxo-1-phenyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridazine-3-carboxamide
CID 55427141
N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate
CID 34161619
N-(2-fluoro-5-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 36670494
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
N-(2-hydroxy-4-methylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51073720
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
(4-acetamidophenyl) 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 56809288
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55515849

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide (CID 8810913) is 6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide is CSc1ccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1.
What is the InChIKey of 6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is DPNWGPXEIPQMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-13-12-17(23)18(21-22(13)15-6-4-3-5-7-15)19(24)20-14-8-10-16(25-2)11-9-14/h3-12H,1-2H3,(H,20,24).
What are the key properties of 6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide?
6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 8810913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).