About 6-(quinolin-6-ylamino)pyridine-3-carbonitrile
6-(quinolin-6-ylamino)pyridine-3-carbonitrile (PubChem CID 62634612) has the molecular formula C15H10N4
and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(quinolin-6-ylamino)pyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 6-(quinolin-6-ylamino)pyridine-3-carbonitrile |
| PubChem CID | 62634612 |
| Molecular Formula | C15H10N4 |
| Molecular Weight | 246.27 g/mol |
| Exact Mass | 246.09 |
| IUPAC Name | 6-(quinolin-6-ylamino)pyridine-3-carbonitrile |
| SMILES | N#Cc1ccc(Nc2ccc3ncccc3c2)nc1 |
| InChI | InChI=1S/C15H10N4/c16-9-11-3-6-15(18-10-11)19-13-4-5-14-12(8-13)2-1-7-17-14/h1-8,10H,(H,18,19) |
| InChIKey | OZVCGYCJTMNXLQ-UHFFFAOYSA-N |
| XLogP | 3.25 |
| TPSA | 61.60 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 246.27 |
| LogP ≤ 5 | 3.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 6-(quinolin-6-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(quinolin-6-ylamino)pyridine-3-carbonitrile (CID 62634612) is 6-(quinolin-6-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(quinolin-6-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(quinolin-6-ylamino)pyridine-3-carbonitrile is N#Cc1ccc(Nc2ccc3ncccc3c2)nc1.
What is the InChIKey of 6-(quinolin-6-ylamino)pyridine-3-carbonitrile?
The InChIKey is OZVCGYCJTMNXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c16-9-11-3-6-15(18-10-11)19-13-4-5-14-12(8-13)2-1-7-17-14/h1-8,10H,(H,18,19).
What are the key properties of 6-(quinolin-6-ylamino)pyridine-3-carbonitrile?
6-(quinolin-6-ylamino)pyridine-3-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(quinolin-6-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 62634612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).