6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide

C20H20N4O3S — CID 133313960

IUPAC6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
SMILESCS(=O)(=O)Cc1ccc(CNc2ccc(C(=O)Nc3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O3S/c1-28(26,27)14-16-9-7-15(8-10-16)13-21-19-12-11-18(23-24-19)20(25)22-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyIQKWSBCDWFLWHK-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.89
Rot. Bonds7

About 6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide

6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide (PubChem CID 133313960) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
PubChem CID133313960
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
SMILESCS(=O)(=O)Cc1ccc(CNc2ccc(C(=O)Nc3ccccc3)nn2)cc1
InChIInChI=1S/C20H20N4O3S/c1-28(26,27)14-16-9-7-15(8-10-16)13-21-19-12-11-18(23-24-19)20(25)22-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,21,24)(H,22,25)
InChIKeyIQKWSBCDWFLWHK-UHFFFAOYSA-N
XLogP2.89
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109117791
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831
6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802
N-(3-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120235
6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109117824
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119838

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide (CID 133313960) is 6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide is CS(=O)(=O)Cc1ccc(CNc2ccc(C(=O)Nc3ccccc3)nn2)cc1.
What is the InChIKey of 6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide?
The InChIKey is IQKWSBCDWFLWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-28(26,27)14-16-9-7-15(8-10-16)13-21-19-12-11-18(23-24-19)20(25)22-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide?
6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).