About 4-cyclopentyl-N-pyridin-4-ylbenzamide
4-cyclopentyl-N-pyridin-4-ylbenzamide (PubChem CID 110464379) has the molecular formula C17H18N2O
and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-cyclopentyl-N-pyridin-4-ylbenzamide.
Molecular Properties
| Compound Name | 4-cyclopentyl-N-pyridin-4-ylbenzamide |
| PubChem CID | 110464379 |
| Molecular Formula | C17H18N2O |
| Molecular Weight | 266.34 g/mol |
| Exact Mass | 266.14 |
| IUPAC Name | 4-cyclopentyl-N-pyridin-4-ylbenzamide |
| SMILES | O=C(Nc1ccncc1)c1ccc(C2CCCC2)cc1 |
| InChI | InChI=1S/C17H18N2O/c20-17(19-16-9-11-18-12-10-16)15-7-5-14(6-8-15)13-3-1-2-4-13/h5-13H,1-4H2,(H,18,19,20) |
| InChIKey | UZSKSYKQKSRDAA-UHFFFAOYSA-N |
| XLogP | 3.99 |
| TPSA | 41.99 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 266.34 |
| LogP ≤ 5 | 3.99 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-cyclopentyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-cyclopentyl-N-pyridin-4-ylbenzamide (CID 110464379) is 4-cyclopentyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-cyclopentyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-cyclopentyl-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1ccc(C2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyl-N-pyridin-4-ylbenzamide?
The InChIKey is UZSKSYKQKSRDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17(19-16-9-11-18-12-10-16)15-7-5-14(6-8-15)13-3-1-2-4-13/h5-13H,1-4H2,(H,18,19,20).
What are the key properties of 4-cyclopentyl-N-pyridin-4-ylbenzamide?
4-cyclopentyl-N-pyridin-4-ylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 110464379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).