6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C28H40FN5O4S — CID 121251249

IUPAC6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)N[C@@H]3CCCNC3)c(N3C[C@@H](C)CC3(C)C)n2)c1
InChIInChI=1S/C28H40FN5O4S/c1-18(2)17-38-23-12-20(11-21(29)13-23)25-9-8-24(26(31-25)34-16-19(3)14-28(34,4)5)27(35)33-39(36,37)32-22-7-6-10-30-15-22/h8-9,11-13,18-19,22,30,32H,6-7,10,14-17H2,1-5H3,(H,33,35)/t19-,22+/m0/s1
InChIKeyFYIAWCHJGAQVMO-SIKLNZKXSA-N
MW561.72 g/mol
LogP3.86
Rot. Bonds9

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251249) has the molecular formula C28H40FN5O4S and a molecular weight of 561.72 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121251249
Molecular FormulaC28H40FN5O4S
Molecular Weight561.72 g/mol
Exact Mass561.28
IUPAC Name6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)N[C@@H]3CCCNC3)c(N3C[C@@H](C)CC3(C)C)n2)c1
InChIInChI=1S/C28H40FN5O4S/c1-18(2)17-38-23-12-20(11-21(29)13-23)25-9-8-24(26(31-25)34-16-19(3)14-28(34,4)5)27(35)33-39(36,37)32-22-7-6-10-30-15-22/h8-9,11-13,18-19,22,30,32H,6-7,10,14-17H2,1-5H3,(H,33,35)/t19-,22+/m0/s1
InChIKeyFYIAWCHJGAQVMO-SIKLNZKXSA-N
XLogP3.86
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.72
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251249) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)N[C@@H]3CCCNC3)c(N3C[C@@H](C)CC3(C)C)n2)c1.
What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is FYIAWCHJGAQVMO-SIKLNZKXSA-N. The full InChI is InChI=1S/C28H40FN5O4S/c1-18(2)17-38-23-12-20(11-21(29)13-23)25-9-8-24(26(31-25)34-16-19(3)14-28(34,4)5)27(35)33-39(36,37)32-22-7-6-10-30-15-22/h8-9,11-13,18-19,22,30,32H,6-7,10,14-17H2,1-5H3,(H,33,35)/t19-,22+/m0/s1.
What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 561.72 g/mol, XLogP of 3.86, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[[(3R)-piperidin-3-yl]sulfamoyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).