About 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (PubChem CID 121245982) has the molecular formula C24H21ClFN5O5
and a molecular weight of 513.91 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide |
|---|
| PubChem CID | 121245982 |
|---|
| Molecular Formula | C24H21ClFN5O5 |
|---|
| Molecular Weight | 513.91 g/mol |
|---|
| Exact Mass | 513.12 |
|---|
| IUPAC Name | 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide |
|---|
| SMILES | COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)c(F)cc2C#N)cc1=O |
|---|
| InChI | InChI=1S/C24H21ClFN5O5/c1-35-6-5-20(24(34)30-14-3-4-19(23(28)33)29-11-14)31-12-21(36-2)16(9-22(31)32)15-8-17(25)18(26)7-13(15)10-27/h3-4,7-9,11-12,20H,5-6H2,1-2H3,(H2,28,33)(H,30,34) |
|---|
| InChIKey | QNFCYSGUPGPZFB-UHFFFAOYSA-N |
|---|
| XLogP | 2.90 |
|---|
| TPSA | 149.33 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 513.91 |
| LogP ≤ 5 | 2.90 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]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-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (CID 121245982) is 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)c(F)cc2C#N)cc1=O.
What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?
The InChIKey is QNFCYSGUPGPZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O5/c1-35-6-5-20(24(34)30-14-3-4-19(23(28)33)29-11-14)31-12-21(36-2)16(9-22(31)32)15-8-17(25)18(26)7-13(15)10-27/h3-4,7-9,11-12,20H,5-6H2,1-2H3,(H2,28,33)(H,30,34).
What are the key properties of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide has a molecular weight of 513.91 g/mol, XLogP of 2.90, 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-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 121245982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).