About 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 23653070) has the molecular formula C31H30F3N5O3
and a molecular weight of 577.61 g/mol. Its IUPAC name is 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
Molecular Properties
| Compound Name | 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide |
|---|
| PubChem CID | 23653070 |
|---|
| Molecular Formula | C31H30F3N5O3 |
|---|
| Molecular Weight | 577.61 g/mol |
|---|
| Exact Mass | 577.23 |
|---|
| IUPAC Name | 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide |
|---|
| SMILES | CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(CC5CCN(C)CC5)c(C(F)(F)F)c4)cccc3c2)ncn1 |
|---|
| InChI | InChI=1S/C31H30F3N5O3/c1-19(40)37-28-17-29(36-18-35-28)42-24-8-9-25-21(15-24)4-3-5-26(25)30(41)38-23-7-6-22(27(16-23)31(32,33)34)14-20-10-12-39(2)13-11-20/h3-9,15-18,20H,10-14H2,1-2H3,(H,38,41)(H,35,36,37,40) |
|---|
| InChIKey | UOKORHKYHMZBSE-UHFFFAOYSA-N |
|---|
| XLogP | 6.54 |
|---|
| TPSA | 96.45 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 577.61 |
| LogP ≤ 5 | 6.54 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(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-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 23653070) is 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4ccc(CC5CCN(C)CC5)c(C(F)(F)F)c4)cccc3c2)ncn1.
What is the InChIKey of 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is UOKORHKYHMZBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N5O3/c1-19(40)37-28-17-29(36-18-35-28)42-24-8-9-25-21(15-24)4-3-5-26(25)30(41)38-23-7-6-22(27(16-23)31(32,33)34)14-20-10-12-39(2)13-11-20/h3-9,15-18,20H,10-14H2,1-2H3,(H,38,41)(H,35,36,37,40).
What are the key properties of 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 577.61 g/mol, XLogP of 6.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-acetamidopyrimidin-4-yl)oxy-N-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 23653070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).