N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide

C19H21N5O4S — CID 166752240

About N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 166752240) has the molecular formula C19H21N5O4S and a molecular weight of 415.48 g/mol. Its IUPAC name is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide
• PubChem CID: 166752240
• Molecular Formula: C19H21N5O4S
• Molecular Weight: 415.48 g/mol
• Exact Mass: 415.13
• IUPAC Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide
• SMILES: COc1ncc(NC(=O)c2cc(C)[nH]n2)cc1S(=O)(=O)Nc1c(C)cccc1C
• InChI: InChI=1S/C19H21N5O4S/c1-11-6-5-7-12(2)17(11)24-29(26,27)16-9-14(10-20-19(16)28-4)21-18(25)15-8-13(3)22-23-15/h5-10,24H,1-4H3,(H,21,25)(H,22,23)
• InChIKey: RPACUYLTBVLSDH-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.48
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide?

The IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide (CID 166752240) is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide.

What is the SMILES notation for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide?

The canonical SMILES for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide is COc1ncc(NC(=O)c2cc(C)[nH]n2)cc1S(=O)(=O)Nc1c(C)cccc1C.

What is the InChIKey of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide?

The InChIKey is RPACUYLTBVLSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S/c1-11-6-5-7-12(2)17(11)24-29(26,27)16-9-14(10-20-19(16)28-4)21-18(25)15-8-13(3)22-23-15/h5-10,24H,1-4H3,(H,21,25)(H,22,23).

What are the key properties of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide?

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166752240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).