6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide

C28H27FN4O5S — CID 131989513

IUPAC6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccn3)c(OCCc3ccccn3)n2)c1
InChIInChI=1S/C28H27FN4O5S/c1-19(2)18-38-23-16-20(15-21(29)17-23)25-10-9-24(27(34)33-39(35,36)26-8-4-6-13-31-26)28(32-25)37-14-11-22-7-3-5-12-30-22/h3-10,12-13,15-17,19H,11,14,18H2,1-2H3,(H,33,34)
InChIKeyIZFVQUZVDCIMMM-UHFFFAOYSA-N
MW550.61 g/mol
LogP4.45
Rot. Bonds11

About 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide

6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide (PubChem CID 131989513) has the molecular formula C28H27FN4O5S and a molecular weight of 550.61 g/mol. Its IUPAC name is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
PubChem CID131989513
Molecular FormulaC28H27FN4O5S
Molecular Weight550.61 g/mol
Exact Mass550.17
IUPAC Name6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccn3)c(OCCc3ccccn3)n2)c1
InChIInChI=1S/C28H27FN4O5S/c1-19(2)18-38-23-16-20(15-21(29)17-23)25-10-9-24(27(34)33-39(35,36)26-8-4-6-13-31-26)28(32-25)37-14-11-22-7-3-5-12-30-22/h3-10,12-13,15-17,19H,11,14,18H2,1-2H3,(H,33,34)
InChIKeyIZFVQUZVDCIMMM-UHFFFAOYSA-N
XLogP4.45
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.61
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
The IUPAC name of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide (CID 131989513) is 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccccn3)c(OCCc3ccccn3)n2)c1.
What is the InChIKey of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
The InChIKey is IZFVQUZVDCIMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O5S/c1-19(2)18-38-23-16-20(15-21(29)17-23)25-10-9-24(27(34)33-39(35,36)26-8-4-6-13-31-26)28(32-25)37-14-11-22-7-3-5-12-30-22/h3-10,12-13,15-17,19H,11,14,18H2,1-2H3,(H,33,34).
What are the key properties of 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide?
6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide has a molecular weight of 550.61 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylethoxy)-N-pyridin-2-ylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 131989513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).