About 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 166481334) has the molecular formula C14H11N5O
and a molecular weight of 265.28 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide.
Molecular Properties
| Compound Name | 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide |
| PubChem CID | 166481334 |
| Molecular Formula | C14H11N5O |
| Molecular Weight | 265.28 g/mol |
| Exact Mass | 265.10 |
| IUPAC Name | 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide |
| SMILES | O=C(Nc1cccnc1)c1cccc(-n2ccnc2)n1 |
| InChI | InChI=1S/C14H11N5O/c20-14(17-11-3-2-6-15-9-11)12-4-1-5-13(18-12)19-8-7-16-10-19/h1-10H,(H,17,20) |
| InChIKey | PHLXTSCFWQCBMG-UHFFFAOYSA-N |
| XLogP | 1.91 |
| TPSA | 72.70 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 265.28 |
| LogP ≤ 5 | 1.91 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide (CID 166481334) is 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide is O=C(Nc1cccnc1)c1cccc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is PHLXTSCFWQCBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-14(17-11-3-2-6-15-9-11)12-4-1-5-13(18-12)19-8-7-16-10-19/h1-10H,(H,17,20).
What are the key properties of 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide?
6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 166481334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).