N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C₂₄H₂₅F₂N₅O₄S — CID 121252542

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121252542) has the molecular formula C₂₄H₂₅F₂N₅O₄S and a molecular weight of 517.56 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 121252542
• Molecular Formula: C₂₄H₂₅F₂N₅O₄S
• Molecular Weight: 517.56 g/mol
• Exact Mass: 517.16
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(F)C3)n2)c1
• InChI: InChI=1S/C24H25F2N5O4S/c1-14(2)13-35-18-9-15(8-16(25)10-18)20-7-6-19(23(28-20)31-11-17(26)12-31)24(32)30-36(33,34)22-5-3-4-21(27)29-22/h3-10,14,17H,11-13H2,1-2H3,(H2,27,29)(H,30,32)
• InChIKey: WCPZTOSOZOPLSK-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.56
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121252542) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(F)C3)n2)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is WCPZTOSOZOPLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O4S/c1-14(2)13-35-18-9-15(8-16(25)10-18)20-7-6-19(23(28-20)31-11-17(26)12-31)24(32)30-36(33,34)22-5-3-4-21(27)29-22/h3-10,14,17H,11-13H2,1-2H3,(H2,27,29)(H,30,32).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 517.56 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoroazetidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121252542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121252542 — identifiers, structure, computed properties (public domain)

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