N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C₂₅H₃₀N₆O₄S — CID 121250570

About N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121250570) has the molecular formula C₂₅H₃₀N₆O₄S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121250570
• Molecular Formula: C₂₅H₃₀N₆O₄S
• Molecular Weight: 510.62 g/mol
• Exact Mass: 510.20
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: COc1ncc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cc1C
• InChI: InChI=1S/C25H30N6O4S/c1-15-12-25(3,4)31(14-15)22-18(23(32)30-36(33,34)20-7-6-10-27-21(20)26)8-9-19(29-22)17-11-16(2)24(35-5)28-13-17/h6-11,13,15H,12,14H2,1-5H3,(H2,26,27)(H,30,32)/t15-/m0/s1
• InChIKey: ZFCANNIEUVMMOY-HNNXBMFYSA-N
• XLogP: 3.18
• TPSA: 140.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.62
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121250570) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is COc1ncc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cc1C.

What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is ZFCANNIEUVMMOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H30N6O4S/c1-15-12-25(3,4)31(14-15)22-18(23(32)30-36(33,34)20-7-6-10-27-21(20)26)8-9-19(29-22)17-11-16(2)24(35-5)28-13-17/h6-11,13,15H,12,14H2,1-5H3,(H2,26,27)(H,30,32)/t15-/m0/s1.

What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-methoxy-5-methyl-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121250570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121250570 — identifiers, structure, computed properties (public domain)

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