About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121250722) has the molecular formula C28H33FN4O5S
and a molecular weight of 556.66 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide |
|---|
| PubChem CID | 121250722 |
|---|
| Molecular Formula | C28H33FN4O5S |
|---|
| Molecular Weight | 556.66 g/mol |
|---|
| Exact Mass | 556.22 |
|---|
| IUPAC Name | N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide |
|---|
| SMILES | CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCCC3CCCC3)n2)c1 |
|---|
| InChI | InChI=1S/C28H33FN4O5S/c1-18(2)17-38-22-15-20(14-21(29)16-22)24-11-10-23(28(31-24)37-13-12-19-6-3-4-7-19)27(34)33-39(35,36)26-9-5-8-25(30)32-26/h5,8-11,14-16,18-19H,3-4,6-7,12-13,17H2,1-2H3,(H2,30,32)(H,33,34) |
|---|
| InChIKey | XDIPTJJFEGENBF-UHFFFAOYSA-N |
|---|
| XLogP | 4.98 |
|---|
| TPSA | 133.50 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 11 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 556.66 |
| LogP ≤ 5 | 4.98 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-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 N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121250722) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCCC3CCCC3)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is XDIPTJJFEGENBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O5S/c1-18(2)17-38-22-15-20(14-21(29)16-22)24-11-10-23(28(31-24)37-13-12-19-6-3-4-7-19)27(34)33-39(35,36)26-9-5-8-25(30)32-26/h5,8-11,14-16,18-19H,3-4,6-7,12-13,17H2,1-2H3,(H2,30,32)(H,33,34).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 556.66 g/mol, XLogP of 4.98, 11 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-cyclopentylethoxy)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121250722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).