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

C24H27FN6O4S — CID 121253780

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121253780) has the molecular formula C24H27FN6O4S and a molecular weight of 514.58 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121253780
• Molecular Formula: C24H27FN6O4S
• Molecular Weight: 514.58 g/mol
• Exact Mass: 514.18
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-fluoro-6-methoxy-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)cc1F
• InChI: InChI=1S/C24H27FN6O4S/c1-14-11-24(2,3)31(13-14)21-16(22(32)30-36(33,34)19-6-5-9-27-20(19)26)7-8-18(29-21)15-10-17(25)23(35-4)28-12-15/h5-10,12,14H,11,13H2,1-4H3,(H2,26,27)(H,30,32)/t14-/m0/s1
• InChIKey: PJIMOUAPVQTNCX-AWEZNQCLSA-N
• XLogP: 3.01
• 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	514.58
LogP ≤ 5	3.01
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-(5-fluoro-6-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121253780) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-fluoro-6-methoxy-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-(5-fluoro-6-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-fluoro-6-methoxy-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)cc1F.

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

The InChIKey is PJIMOUAPVQTNCX-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H27FN6O4S/c1-14-11-24(2,3)31(13-14)21-16(22(32)30-36(33,34)19-6-5-9-27-20(19)26)7-8-18(29-21)15-10-17(25)23(35-4)28-12-15/h5-10,12,14H,11,13H2,1-4H3,(H2,26,27)(H,30,32)/t14-/m0/s1.

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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(5-fluoro-6-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 514.58 g/mol, XLogP of 3.01, 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-(5-fluoro-6-methoxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121253780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).