6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide

C16H18N4O3S — CID 136540496

IUPAC6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
SMILESCS(=O)(=O)C1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)C1
InChIInChI=1S/C16H18N4O3S/c1-24(22,23)13-9-10-20(11-13)15-8-7-14(18-19-15)16(21)17-12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H,17,21)
InChIKeyLHJLKKUMSJIHAC-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.35
Rot. Bonds4

About 6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide

6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide (PubChem CID 136540496) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
PubChem CID136540496
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
SMILESCS(=O)(=O)C1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)C1
InChIInChI=1S/C16H18N4O3S/c1-24(22,23)13-9-10-20(11-13)15-8-7-14(18-19-15)16(21)17-12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H,17,21)
InChIKeyLHJLKKUMSJIHAC-UHFFFAOYSA-N
XLogP1.35
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3-methylsulfonylpyrrolidin-1-yl)-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

1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
6-(3,5-dimethylpiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133313211
6-(3-methyl-4-oxopiperidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 133497494
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
6-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313205
6-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313984
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133499682
6-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109125996
6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133363865
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214
(3S,4S)-1-[6-(phenylcarbamoyl)pyridazin-3-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063887

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide (CID 136540496) is 6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide is CS(=O)(=O)C1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)C1.
What is the InChIKey of 6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide?
The InChIKey is LHJLKKUMSJIHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-24(22,23)13-9-10-20(11-13)15-8-7-14(18-19-15)16(21)17-12-5-3-2-4-6-12/h2-8,13H,9-11H2,1H3,(H,17,21).
What are the key properties of 6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide?
6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 136540496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).