About N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide
N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide (PubChem CID 59849100) has the molecular formula C25H18ClN7O3S
and a molecular weight of 531.99 g/mol. Its IUPAC name is N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide |
|---|
| PubChem CID | 59849100 |
|---|
| Molecular Formula | C25H18ClN7O3S |
|---|
| Molecular Weight | 531.99 g/mol |
|---|
| Exact Mass | 531.09 |
|---|
| IUPAC Name | N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide |
|---|
| SMILES | O=C(Nc1cc(-n2ccccc2=O)ccc1-n1cc(CNC(=O)c2ccc(Cl)s2)nn1)c1cccnc1 |
|---|
| InChI | InChI=1S/C25H18ClN7O3S/c26-22-9-8-21(37-22)25(36)28-14-17-15-33(31-30-17)20-7-6-18(32-11-2-1-5-23(32)34)12-19(20)29-24(35)16-4-3-10-27-13-16/h1-13,15H,14H2,(H,28,36)(H,29,35) |
|---|
| InChIKey | KVZRHSVORAEIEG-UHFFFAOYSA-N |
|---|
| XLogP | 3.71 |
|---|
| TPSA | 123.80 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 531.99 |
| LogP ≤ 5 | 3.71 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)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-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide (CID 59849100) is N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cc(-n2ccccc2=O)ccc1-n1cc(CNC(=O)c2ccc(Cl)s2)nn1)c1cccnc1.
What is the InChIKey of N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide?
The InChIKey is KVZRHSVORAEIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN7O3S/c26-22-9-8-21(37-22)25(36)28-14-17-15-33(31-30-17)20-7-6-18(32-11-2-1-5-23(32)34)12-19(20)29-24(35)16-4-3-10-27-13-16/h1-13,15H,14H2,(H,28,36)(H,29,35).
What are the key properties of N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide?
N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide has a molecular weight of 531.99 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[(5-chlorothiophene-2-carbonyl)amino]methyl]triazol-1-yl]-5-(2-oxo-1-pyridinyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 59849100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).