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

C28H38F3N5O4S — CID 175515589

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)N3CC(N)CC(F)(F)C3)c(N3CCC(C)C3(C)C)n2)c1
InChIInChI=1S/C28H38F3N5O4S/c1-17(2)15-40-22-11-19(10-20(29)12-22)24-7-6-23(25(33-24)36-9-8-18(3)27(36,4)5)26(37)34-41(38,39)35-14-21(32)13-28(30,31)16-35/h6-7,10-12,17-18,21H,8-9,13-16,32H2,1-5H3,(H,34,37)
InChIKeyGZDJPZXQNBIJTI-UHFFFAOYSA-N
MW597.70 g/mol
LogP4.19
Rot. Bonds8

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

N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515589) has the molecular formula C28H38F3N5O4S and a molecular weight of 597.70 g/mol. Its IUPAC name is N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515589
Molecular FormulaC28H38F3N5O4S
Molecular Weight597.70 g/mol
Exact Mass597.26
IUPAC NameN-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)N3CC(N)CC(F)(F)C3)c(N3CCC(C)C3(C)C)n2)c1
InChIInChI=1S/C28H38F3N5O4S/c1-17(2)15-40-22-11-19(10-20(29)12-22)24-7-6-23(25(33-24)36-9-8-18(3)27(36,4)5)26(37)34-41(38,39)35-14-21(32)13-28(30,31)16-35/h6-7,10-12,17-18,21H,8-9,13-16,32H2,1-5H3,(H,34,37)
InChIKeyGZDJPZXQNBIJTI-UHFFFAOYSA-N
XLogP4.19
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.70
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515589) is N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)N3CC(N)CC(F)(F)C3)c(N3CCC(C)C3(C)C)n2)c1.
What is the InChIKey of N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is GZDJPZXQNBIJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F3N5O4S/c1-17(2)15-40-22-11-19(10-20(29)12-22)24-7-6-23(25(33-24)36-9-8-18(3)27(36,4)5)26(37)34-41(38,39)35-14-21(32)13-28(30,31)16-35/h6-7,10-12,17-18,21H,8-9,13-16,32H2,1-5H3,(H,34,37).
What are the key properties of N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 597.70 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3,3-difluoropiperidin-1-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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