About 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 25156466) has the molecular formula C29H22F3N5O3
and a molecular weight of 545.52 g/mol. Its IUPAC name is 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
Molecular Properties
| Compound Name | 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide |
|---|
| PubChem CID | 25156466 |
|---|
| Molecular Formula | C29H22F3N5O3 |
|---|
| Molecular Weight | 545.52 g/mol |
|---|
| Exact Mass | 545.17 |
|---|
| IUPAC Name | 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide |
|---|
| SMILES | CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cccc3c2)ccn1 |
|---|
| InChI | InChI=1S/C29H22F3N5O3/c1-17-15-37(16-34-17)22-12-20(29(30,31)32)11-21(13-22)36-28(39)26-5-3-4-19-10-23(6-7-25(19)26)40-24-8-9-33-27(14-24)35-18(2)38/h3-16H,1-2H3,(H,36,39)(H,33,35,38) |
|---|
| InChIKey | NCDSIHAUXWZPTP-UHFFFAOYSA-N |
|---|
| XLogP | 6.75 |
|---|
| TPSA | 98.14 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 40 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 545.52 |
| LogP ≤ 5 | 6.75 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-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 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 25156466) is 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cccc3c2)ccn1.
What is the InChIKey of 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is NCDSIHAUXWZPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F3N5O3/c1-17-15-37(16-34-17)22-12-20(29(30,31)32)11-21(13-22)36-28(39)26-5-3-4-19-10-23(6-7-25(19)26)40-24-8-9-33-27(14-24)35-18(2)38/h3-16H,1-2H3,(H,36,39)(H,33,35,38).
What are the key properties of 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 545.52 g/mol, XLogP of 6.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-acetamido-4-pyridinyl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 25156466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).