About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121250566) has the molecular formula C31H32FN5O4S
and a molecular weight of 589.69 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide |
|---|
| PubChem CID | 121250566 |
|---|
| Molecular Formula | C31H32FN5O4S |
|---|
| Molecular Weight | 589.69 g/mol |
|---|
| Exact Mass | 589.22 |
|---|
| IUPAC Name | N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide |
|---|
| SMILES | CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC3c3ccccc3)n2)c1 |
|---|
| InChI | InChI=1S/C31H32FN5O4S/c1-20(2)19-41-24-17-22(16-23(32)18-24)26-14-13-25(31(38)36-42(39,40)29-12-6-11-28(33)35-29)30(34-26)37-15-7-10-27(37)21-8-4-3-5-9-21/h3-6,8-9,11-14,16-18,20,27H,7,10,15,19H2,1-2H3,(H2,33,35)(H,36,38) |
|---|
| InChIKey | HHTWIWLBDWUUSM-UHFFFAOYSA-N |
|---|
| XLogP | 5.36 |
|---|
| TPSA | 127.51 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 589.69 |
| LogP ≤ 5 | 5.36 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)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]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121250566) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-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-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC3c3ccccc3)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is HHTWIWLBDWUUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN5O4S/c1-20(2)19-41-24-17-22(16-23(32)18-24)26-14-13-25(31(38)36-42(39,40)29-12-6-11-28(33)35-29)30(34-26)37-15-7-10-27(37)21-8-4-3-5-9-21/h3-6,8-9,11-14,16-18,20,27H,7,10,15,19H2,1-2H3,(H2,33,35)(H,36,38).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 589.69 g/mol, XLogP of 5.36, 9 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-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121250566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).