About 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 44625507) has the molecular formula C24H19ClF3N7
and a molecular weight of 497.91 g/mol. Its IUPAC name is 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile |
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| PubChem CID | 44625507 |
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| Molecular Formula | C24H19ClF3N7 |
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| Molecular Weight | 497.91 g/mol |
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| Exact Mass | 497.13 |
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| IUPAC Name | 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile |
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| SMILES | N#Cc1ccc(NC2CCCN(c3nc(-c4ccccc4Cl)cc(C(F)(F)F)c3C#N)C2)nc1N |
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| InChI | InChI=1S/C24H19ClF3N7/c25-19-6-2-1-5-16(19)20-10-18(24(26,27)28)17(12-30)23(33-20)35-9-3-4-15(13-35)32-21-8-7-14(11-29)22(31)34-21/h1-2,5-8,10,15H,3-4,9,13H2,(H3,31,32,34) |
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| InChIKey | IAIJPTSIYSYJPR-UHFFFAOYSA-N |
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| XLogP | 5.22 |
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| TPSA | 114.65 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 497.91 |
| LogP ≤ 5 | 5.22 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 44625507) is 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(NC2CCCN(c3nc(-c4ccccc4Cl)cc(C(F)(F)F)c3C#N)C2)nc1N.
What is the InChIKey of 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is IAIJPTSIYSYJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N7/c25-19-6-2-1-5-16(19)20-10-18(24(26,27)28)17(12-30)23(33-20)35-9-3-4-15(13-35)32-21-8-7-14(11-29)22(31)34-21/h1-2,5-8,10,15H,3-4,9,13H2,(H3,31,32,34).
What are the key properties of 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 497.91 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-amino-5-cyano-2-pyridinyl)amino]piperidin-1-yl]-6-(2-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 44625507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).