N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen

C29H37FN4O4S — CID 158068950

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158068950) has the molecular formula C29H37FN4O4S and a molecular weight of 556.70 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 158068950
• Molecular Formula: C29H37FN4O4S
• Molecular Weight: 556.70 g/mol
• Exact Mass: 556.25
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(C3=CC(C)CC3(C)C)n2)c1.[H][H].[H][H]
• InChI: InChI=1S/C29H33FN4O4S.2H2/c1-17(2)16-38-21-13-19(12-20(30)14-21)24-10-9-22(27(32-24)23-11-18(3)15-29(23,4)5)28(35)34-39(36,37)26-8-6-7-25(31)33-26;;/h6-14,17-18H,15-16H2,1-5H3,(H2,31,33)(H,34,35);2*1H
• InChIKey: FLOWVUVSSADHHS-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 124.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.70
LogP ≤ 5	5.96
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-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen (CID 158068950) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(C3=CC(C)CC3(C)C)n2)c1.[H][H].[H][H].

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

The InChIKey is FLOWVUVSSADHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O4S.2H2/c1-17(2)16-38-21-13-19(12-20(30)14-21)24-10-9-22(27(32-24)23-11-18(3)15-29(23,4)5)28(35)34-39(36,37)26-8-6-7-25(31)33-26;;/h6-14,17-18H,15-16H2,1-5H3,(H2,31,33)(H,34,35);2*1H.

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 556.70 g/mol, XLogP of 5.96, 8 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-fluoro-5-(2-methylpropoxy)phenyl]-2-(3,5,5-trimethylcyclopenten-1-yl)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158068950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).