About (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide
(2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide (PubChem CID 164612155) has the molecular formula C32H35N5O3
and a molecular weight of 537.66 g/mol. Its IUPAC name is (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide.
Molecular Properties
| Compound Name | (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide |
|---|
| PubChem CID | 164612155 |
|---|
| Molecular Formula | C32H35N5O3 |
|---|
| Molecular Weight | 537.66 g/mol |
|---|
| Exact Mass | 537.27 |
|---|
| IUPAC Name | (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide |
|---|
| SMILES | CC(CN[C@H](C(=O)Nc1ccc(OC2CCN(C(=O)C3CC3)CC2)cn1)c1ccccc1)c1ccc(C#N)cc1 |
|---|
| InChI | InChI=1S/C32H35N5O3/c1-22(24-9-7-23(19-33)8-10-24)20-35-30(25-5-3-2-4-6-25)31(38)36-29-14-13-28(21-34-29)40-27-15-17-37(18-16-27)32(39)26-11-12-26/h2-10,13-14,21-22,26-27,30,35H,11-12,15-18,20H2,1H3,(H,34,36,38)/t22?,30-/m0/s1 |
|---|
| InChIKey | MXWCSFMULDAEPJ-YBJSGSKQSA-N |
|---|
| XLogP | 4.81 |
|---|
| TPSA | 107.35 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 40 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 537.66 |
| LogP ≤ 5 | 4.81 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide 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 (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide (CID 164612155) is (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide is CC(CN[C@H](C(=O)Nc1ccc(OC2CCN(C(=O)C3CC3)CC2)cn1)c1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide?
The InChIKey is MXWCSFMULDAEPJ-YBJSGSKQSA-N. The full InChI is InChI=1S/C32H35N5O3/c1-22(24-9-7-23(19-33)8-10-24)20-35-30(25-5-3-2-4-6-25)31(38)36-29-14-13-28(21-34-29)40-27-15-17-37(18-16-27)32(39)26-11-12-26/h2-10,13-14,21-22,26-27,30,35H,11-12,15-18,20H2,1H3,(H,34,36,38)/t22?,30-/m0/s1.
What are the key properties of (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide?
(2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide has a molecular weight of 537.66 g/mol, XLogP of 4.81, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 164612155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).