About 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide
2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide (PubChem CID 83167857) has the molecular formula C10H12ClN3O
and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide.
Molecular Properties
| Compound Name | 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide |
| PubChem CID | 83167857 |
| Molecular Formula | C10H12ClN3O |
| Molecular Weight | 225.68 g/mol |
| Exact Mass | 225.07 |
| IUPAC Name | 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide |
| SMILES | O=C(CC1CNC1)Nc1cnccc1Cl |
| InChI | InChI=1S/C10H12ClN3O/c11-8-1-2-12-6-9(8)14-10(15)3-7-4-13-5-7/h1-2,6-7,13H,3-5H2,(H,14,15) |
| InChIKey | UUUFLJSRHVFJEC-UHFFFAOYSA-N |
| XLogP | 1.28 |
| TPSA | 54.02 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 225.68 |
| LogP ≤ 5 | 1.28 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide (CID 83167857) is 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide is O=C(CC1CNC1)Nc1cnccc1Cl.
What is the InChIKey of 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide?
The InChIKey is UUUFLJSRHVFJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-8-1-2-12-6-9(8)14-10(15)3-7-4-13-5-7/h1-2,6-7,13H,3-5H2,(H,14,15).
What are the key properties of 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide?
2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide has a molecular weight of 225.68 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 83167857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).