N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethylcyclopentyl)oxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C28H33FN4O5S — CID 121252357

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethylcyclopentyl)oxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethylcyclopentyl)oxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121252357) has the molecular formula C28H33FN4O5S and a molecular weight of 556.66 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethylcyclopentyl)oxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethylcyclopentyl)oxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 121252357
• Molecular Formula: C28H33FN4O5S
• Molecular Weight: 556.66 g/mol
• Exact Mass: 556.22
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethylcyclopentyl)oxy-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(OC3C(C)CCC3C)n2)c1
• InChI: InChI=1S/C28H33FN4O5S/c1-16(2)15-37-21-13-19(12-20(29)14-21)23-11-10-22(28(31-23)38-26-17(3)8-9-18(26)4)27(34)33-39(35,36)25-7-5-6-24(30)32-25/h5-7,10-14,16-18,26H,8-9,15H2,1-4H3,(H2,30,32)(H,33,34)
• InChIKey: IGGOCXIITMPJCU-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.66
LogP ≤ 5	4.83
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-(2,5-dimethylcyclopentyl)oxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethylcyclopentyl)oxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121252357) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethylcyclopentyl)oxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethylcyclopentyl)oxy-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(OC3C(C)CCC3C)n2)c1.

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

The InChIKey is IGGOCXIITMPJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O5S/c1-16(2)15-37-21-13-19(12-20(29)14-21)23-11-10-22(28(31-23)38-26-17(3)8-9-18(26)4)27(34)33-39(35,36)25-7-5-6-24(30)32-25/h5-7,10-14,16-18,26H,8-9,15H2,1-4H3,(H2,30,32)(H,33,34).

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dimethylcyclopentyl)oxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 556.66 g/mol, XLogP of 4.83, 9 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-(2,5-dimethylcyclopentyl)oxy-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121252357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).