N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide

C21H33N5O3SSi — CID 155784127

About N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide

N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide (PubChem CID 155784127) has the molecular formula C21H33N5O3SSi and a molecular weight of 463.68 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide
• PubChem CID: 155784127
• Molecular Formula: C21H33N5O3SSi
• Molecular Weight: 463.68 g/mol
• Exact Mass: 463.21
• IUPAC Name: N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide
• SMILES: Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc([Si](C)(C)C)nc1N1C[C@@H](C)CC1(C)C
• InChI: InChI=1S/C21H33N5O3SSi/c1-14-11-21(3,4)26(12-14)19-16(9-10-18(22-19)31(6,7)8)20(27)24-30(28,29)17-13-25(5)23-15(17)2/h9-10,13-14H,11-12H2,1-8H3,(H,24,27)/t14-/m0/s1
• InChIKey: MVWYSBBRESTNEN-AWEZNQCLSA-N
• XLogP: 2.41
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.68
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide?

The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide (CID 155784127) is N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide.

What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide?

The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide is Cc1nn(C)cc1S(=O)(=O)NC(=O)c1ccc([Si](C)(C)C)nc1N1C[C@@H](C)CC1(C)C.

What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide?

The InChIKey is MVWYSBBRESTNEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H33N5O3SSi/c1-14-11-21(3,4)26(12-14)19-16(9-10-18(22-19)31(6,7)8)20(27)24-30(28,29)17-13-25(5)23-15(17)2/h9-10,13-14H,11-12H2,1-8H3,(H,24,27)/t14-/m0/s1.

What are the key properties of N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide?

N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide has a molecular weight of 463.68 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-trimethylsilylpyridine-3-carboxamide is sourced from PubChem (CID 155784127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).