1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide

C18H15N3O2S — CID 51316560

IUPAC1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1=O
InChIInChI=1S/C18H15N3O2S/c1-21-17(22)12-11-15(20-21)18(23)19-14-9-5-6-10-16(14)24-13-7-3-2-4-8-13/h2-12H,1H3,(H,19,23)
InChIKeyXWYIJOUDVPVARA-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.18
Rot. Bonds4

About 1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide (PubChem CID 51316560) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide
PubChem CID51316560
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1=O
InChIInChI=1S/C18H15N3O2S/c1-21-17(22)12-11-15(20-21)18(23)19-14-9-5-6-10-16(14)24-13-7-3-2-4-8-13/h2-12H,1H3,(H,19,23)
InChIKeyXWYIJOUDVPVARA-UHFFFAOYSA-N
XLogP3.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1,3-dimethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 19476882
4-bromo-1,3-dimethyl-N-(2-phenylsulfanylphenyl)pyrazole-5-carboxamide
CID 19480342
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
1-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
CID 90626205
1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 9465629
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842
N-[2-(cyclopentylcarbamoyl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 8933933
5-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 43172077
3-hydroxy-4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]benzoic acid
CID 60826901
1-[(4-phenylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)pyrazole-3-carboxamide
CID 19273348
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103772693

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide (CID 51316560) is 1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide?
The InChIKey is XWYIJOUDVPVARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-21-17(22)12-11-15(20-21)18(23)19-14-9-5-6-10-16(14)24-13-7-3-2-4-8-13/h2-12H,1H3,(H,19,23).
What are the key properties of 1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 51316560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).