N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C₂₃H₃₁N₅O₃S — CID 121252470

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121252470) has the molecular formula C₂₃H₃₁N₅O₃S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121252470
• Molecular Formula: C₂₃H₃₁N₅O₃S
• Molecular Weight: 457.60 g/mol
• Exact Mass: 457.21
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(C)=C(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1
• InChI: InChI=1S/C23H31N5O3S/c1-14(2)16(4)18-11-10-17(21(25-18)28-13-15(3)12-23(28,5)6)22(29)27-32(30,31)20-9-7-8-19(24)26-20/h7-11,15H,12-13H2,1-6H3,(H2,24,26)(H,27,29)/t15-/m0/s1
• InChIKey: ROYDMOIMENLIBW-HNNXBMFYSA-N
• XLogP: 3.62
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.60
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121252470) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)=C(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)n1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is ROYDMOIMENLIBW-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H31N5O3S/c1-14(2)16(4)18-11-10-17(21(25-18)28-13-15(3)12-23(28,5)6)22(29)27-32(30,31)20-9-7-8-19(24)26-20/h7-11,15H,12-13H2,1-6H3,(H2,24,26)(H,27,29)/t15-/m0/s1.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-methylbut-2-en-2-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121252470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121252470 — identifiers, structure, computed properties (public domain)

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