About N-(6-methyl-2-pyridinyl)propanamide
N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 5057760) has the molecular formula C9H12N2O
and a molecular weight of 164.21 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)propanamide.
Molecular Properties
| Compound Name | N-(6-methyl-2-pyridinyl)propanamide |
| PubChem CID | 5057760 |
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.21 g/mol |
| Exact Mass | 164.09 |
| IUPAC Name | N-(6-methyl-2-pyridinyl)propanamide |
| SMILES | CCC(=O)Nc1cccc(C)n1 |
| InChI | InChI=1S/C9H12N2O/c1-3-9(12)11-8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3,(H,10,11,12) |
| InChIKey | IVFJUUKOPBVNOO-UHFFFAOYSA-N |
| XLogP | 1.74 |
| TPSA | 41.99 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 164.21 |
| LogP ≤ 5 | 1.74 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)propanamide (CID 5057760) is N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)propanamide is CCC(=O)Nc1cccc(C)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is IVFJUUKOPBVNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-9(12)11-8-6-4-5-7(2)10-8/h4-6H,3H2,1-2H3,(H,10,11,12).
What are the key properties of N-(6-methyl-2-pyridinyl)propanamide?
N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 164.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 5057760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).