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

C28H38FN5O4S — CID 159033044

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 159033044) has the molecular formula C28H38FN5O4S and a molecular weight of 559.71 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 159033044
• Molecular Formula: C28H38FN5O4S
• Molecular Weight: 559.71 g/mol
• Exact Mass: 559.26
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;molecular hydrogen
• SMILES: CCC1CCC(C)N1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.[H][H].[H][H]
• InChI: InChI=1S/C28H34FN5O4S.2H2/c1-5-21-10-9-18(4)34(21)27-23(28(35)33-39(36,37)26-8-6-7-25(30)32-26)11-12-24(31-27)19-13-20(29)15-22(14-19)38-16-17(2)3;;/h6-8,11-15,17-18,21H,5,9-10,16H2,1-4H3,(H2,30,32)(H,33,35);2*1H
• InChIKey: JVCSTAQWSVQANE-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.71
LogP ≤ 5	5.28
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-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;molecular hydrogen (CID 159033044) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;molecular hydrogen.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;molecular hydrogen is CCC1CCC(C)N1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.[H][H].[H][H].

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

The InChIKey is JVCSTAQWSVQANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O4S.2H2/c1-5-21-10-9-18(4)34(21)27-23(28(35)33-39(36,37)26-8-6-7-25(30)32-26)11-12-24(31-27)19-13-20(29)15-22(14-19)38-16-17(2)3;;/h6-8,11-15,17-18,21H,5,9-10,16H2,1-4H3,(H2,30,32)(H,33,35);2*1H.

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

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 559.71 g/mol, XLogP of 5.28, 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-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 159033044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).