About 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide (PubChem CID 121246011) has the molecular formula C27H19ClF2N6O4
and a molecular weight of 564.94 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide |
|---|
| PubChem CID | 121246011 |
|---|
| Molecular Formula | C27H19ClF2N6O4 |
|---|
| Molecular Weight | 564.94 g/mol |
|---|
| Exact Mass | 564.11 |
|---|
| IUPAC Name | 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide |
|---|
| SMILES | N#Cc1ccc(Cl)cc1-c1cc(=O)n(C(Cc2ccccn2)C(=O)Nc2ccc(C(N)=O)nc2)cc1OC(F)F |
|---|
| InChI | InChI=1S/C27H19ClF2N6O4/c28-16-5-4-15(12-31)19(9-16)20-11-24(37)36(14-23(20)40-27(29)30)22(10-17-3-1-2-8-33-17)26(39)35-18-6-7-21(25(32)38)34-13-18/h1-9,11,13-14,22,27H,10H2,(H2,32,38)(H,35,39) |
|---|
| InChIKey | GHXRAHAPKKPFKH-UHFFFAOYSA-N |
|---|
| XLogP | 3.95 |
|---|
| TPSA | 152.99 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 40 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 564.94 |
| LogP ≤ 5 | 3.95 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-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 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide (CID 121246011) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide is N#Cc1ccc(Cl)cc1-c1cc(=O)n(C(Cc2ccccn2)C(=O)Nc2ccc(C(N)=O)nc2)cc1OC(F)F.
What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The InChIKey is GHXRAHAPKKPFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClF2N6O4/c28-16-5-4-15(12-31)19(9-16)20-11-24(37)36(14-23(20)40-27(29)30)22(10-17-3-1-2-8-33-17)26(39)35-18-6-7-21(25(32)38)34-13-18/h1-9,11,13-14,22,27H,10H2,(H2,32,38)(H,35,39).
What are the key properties of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide has a molecular weight of 564.94 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 121246011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).