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

C28H34FN5O4S — CID 121251430

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(5R)-2,2,5-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251430) has the molecular formula C28H34FN5O4S and a molecular weight of 555.68 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(5R)-2,2,5-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(5R)-2,2,5-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 121251430
• Molecular Formula: C28H34FN5O4S
• Molecular Weight: 555.68 g/mol
• Exact Mass: 555.23
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(5R)-2,2,5-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CCC3(C)C)n2)c1
• InChI: InChI=1S/C28H34FN5O4S/c1-17(2)16-38-21-14-19(13-20(29)15-21)23-10-9-22(26(31-23)34-18(3)11-12-28(34,4)5)27(35)33-39(36,37)25-8-6-7-24(30)32-25/h6-10,13-15,17-18H,11-12,16H2,1-5H3,(H2,30,32)(H,33,35)/t18-/m1/s1
• InChIKey: CILRVUMSXVFIMK-GOSISDBHSA-N
• XLogP: 4.79
• TPSA: 127.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.68
LogP ≤ 5	4.79
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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(5R)-2,2,5-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(5R)-2,2,5-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251430) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(5R)-2,2,5-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(5R)-2,2,5-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CCC3(C)C)n2)c1.

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

The InChIKey is CILRVUMSXVFIMK-GOSISDBHSA-N. The full InChI is InChI=1S/C28H34FN5O4S/c1-17(2)16-38-21-14-19(13-20(29)15-21)23-10-9-22(26(31-23)34-18(3)11-12-28(34,4)5)27(35)33-39(36,37)25-8-6-7-24(30)32-25/h6-10,13-15,17-18H,11-12,16H2,1-5H3,(H2,30,32)(H,33,35)/t18-/m1/s1.

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(5R)-2,2,5-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 555.68 g/mol, XLogP of 4.79, 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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(5R)-2,2,5-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).