About N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene
N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene (PubChem CID 143077524) has the molecular formula C26H43N5O3S
and a molecular weight of 505.73 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene.
Molecular Properties
| Compound Name | N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene |
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| PubChem CID | 143077524 |
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| Molecular Formula | C26H43N5O3S |
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| Molecular Weight | 505.73 g/mol |
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| Exact Mass | 505.31 |
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| IUPAC Name | N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene |
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| SMILES | CCCNc1cc(C(=O)NCCO)cc(NCCN2CCCCC2)n1.CSO.Cc1ccccc1 |
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| InChI | InChI=1S/C18H31N5O2.C7H8.CH4OS/c1-2-6-19-16-13-15(18(25)21-8-12-24)14-17(22-16)20-7-11-23-9-4-3-5-10-23;1-7-5-3-2-4-6-7;1-3-2/h13-14,24H,2-12H2,1H3,(H,21,25)(H2,19,20,22);2-6H,1H3;2H,1H3 |
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| InChIKey | AUOWJYWLSVSTNP-UHFFFAOYSA-N |
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| XLogP | 4.34 |
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| TPSA | 109.75 Ų |
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| H-Bond Donors | 5 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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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 | 505.73 |
| LogP ≤ 5 | 4.34 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene (CID 143077524) is N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene is CCCNc1cc(C(=O)NCCO)cc(NCCN2CCCCC2)n1.CSO.Cc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene?
The InChIKey is AUOWJYWLSVSTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2.C7H8.CH4OS/c1-2-6-19-16-13-15(18(25)21-8-12-24)14-17(22-16)20-7-11-23-9-4-3-5-10-23;1-7-5-3-2-4-6-7;1-3-2/h13-14,24H,2-12H2,1H3,(H,21,25)(H2,19,20,22);2-6H,1H3;2H,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene?
N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene has a molecular weight of 505.73 g/mol, XLogP of 4.34, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene is sourced from PubChem (CID 143077524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).