About 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide
5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide (PubChem CID 135205579) has the molecular formula C26H27ClN8O4
and a molecular weight of 551.01 g/mol. Its IUPAC name is 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide |
|---|
| PubChem CID | 135205579 |
|---|
| Molecular Formula | C26H27ClN8O4 |
|---|
| Molecular Weight | 551.01 g/mol |
|---|
| Exact Mass | 550.18 |
|---|
| IUPAC Name | 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide |
|---|
| SMILES | CCCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O |
|---|
| InChI | InChI=1S/C26H27ClN8O4/c1-4-5-6-22(26(38)31-17-8-9-20(29-13-17)25(37)28-2)34-14-23(39-3)19(12-24(34)36)18-11-16(27)7-10-21(18)35-15-30-32-33-35/h7-15,22H,4-6H2,1-3H3,(H,28,37)(H,31,38) |
|---|
| InChIKey | ORRIMSVBDDRCMC-UHFFFAOYSA-N |
|---|
| XLogP | 3.28 |
|---|
| TPSA | 145.92 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 551.01 |
| LogP ≤ 5 | 3.28 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-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-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide (CID 135205579) is 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide is CCCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O.
What is the InChIKey of 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is ORRIMSVBDDRCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN8O4/c1-4-5-6-22(26(38)31-17-8-9-20(29-13-17)25(37)28-2)34-14-23(39-3)19(12-24(34)36)18-11-16(27)7-10-21(18)35-15-30-32-33-35/h7-15,22H,4-6H2,1-3H3,(H,28,37)(H,31,38).
What are the key properties of 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide?
5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 551.01 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]hexanoylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135205579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).