About 3-(3-cyclopentyl-4-pyridinyl)propanamide
3-(3-cyclopentyl-4-pyridinyl)propanamide (PubChem CID 138571764) has the molecular formula C13H18N2O
and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(3-cyclopentyl-4-pyridinyl)propanamide.
Molecular Properties
| Compound Name | 3-(3-cyclopentyl-4-pyridinyl)propanamide |
| PubChem CID | 138571764 |
| Molecular Formula | C13H18N2O |
| Molecular Weight | 218.30 g/mol |
| Exact Mass | 218.14 |
| IUPAC Name | 3-(3-cyclopentyl-4-pyridinyl)propanamide |
| SMILES | NC(=O)CCc1ccncc1C1CCCC1 |
| InChI | InChI=1S/C13H18N2O/c14-13(16)6-5-11-7-8-15-9-12(11)10-3-1-2-4-10/h7-10H,1-6H2,(H2,14,16) |
| InChIKey | TYIROPLGVXECOA-UHFFFAOYSA-N |
| XLogP | 2.16 |
| TPSA | 55.98 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 218.30 |
| LogP ≤ 5 | 2.16 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 3-(3-cyclopentyl-4-pyridinyl)propanamide?
The IUPAC name of 3-(3-cyclopentyl-4-pyridinyl)propanamide (CID 138571764) is 3-(3-cyclopentyl-4-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-cyclopentyl-4-pyridinyl)propanamide?
The canonical SMILES for 3-(3-cyclopentyl-4-pyridinyl)propanamide is NC(=O)CCc1ccncc1C1CCCC1.
What is the InChIKey of 3-(3-cyclopentyl-4-pyridinyl)propanamide?
The InChIKey is TYIROPLGVXECOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-13(16)6-5-11-7-8-15-9-12(11)10-3-1-2-4-10/h7-10H,1-6H2,(H2,14,16).
What are the key properties of 3-(3-cyclopentyl-4-pyridinyl)propanamide?
3-(3-cyclopentyl-4-pyridinyl)propanamide has a molecular weight of 218.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-4-pyridinyl)propanamide is sourced from PubChem (CID 138571764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).