5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide

C23H34N6O3S — CID 156561753

About 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide

5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide (PubChem CID 156561753) has the molecular formula C23H34N6O3S and a molecular weight of 474.63 g/mol. Its IUPAC name is 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide
• PubChem CID: 156561753
• Molecular Formula: C23H34N6O3S
• Molecular Weight: 474.63 g/mol
• Exact Mass: 474.24
• IUPAC Name: 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide
• SMILES: CSc1cc(C)[nH]c(=O)c1CNC(=O)c1nnn([C@H](C)C2CCC(NC3COC3)CC2)c1C
• InChI: InChI=1S/C23H34N6O3S/c1-13-9-20(33-4)19(22(30)25-13)10-24-23(31)21-15(3)29(28-27-21)14(2)16-5-7-17(8-6-16)26-18-11-32-12-18/h9,14,16-18,26H,5-8,10-12H2,1-4H3,(H,24,31)(H,25,30)/t14-,16?,17?/m1/s1
• InChIKey: IUKBUOJJGFTVEX-ODIFPOPNSA-N
• XLogP: 2.34
• TPSA: 113.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.63
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide?

The IUPAC name of 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide (CID 156561753) is 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide is CSc1cc(C)[nH]c(=O)c1CNC(=O)c1nnn([C@H](C)C2CCC(NC3COC3)CC2)c1C.

What is the InChIKey of 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide?

The InChIKey is IUKBUOJJGFTVEX-ODIFPOPNSA-N. The full InChI is InChI=1S/C23H34N6O3S/c1-13-9-20(33-4)19(22(30)25-13)10-24-23(31)21-15(3)29(28-27-21)14(2)16-5-7-17(8-6-16)26-18-11-32-12-18/h9,14,16-18,26H,5-8,10-12H2,1-4H3,(H,24,31)(H,25,30)/t14-,16?,17?/m1/s1.

What are the key properties of 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide?

5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide has a molecular weight of 474.63 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1R)-1-[4-(oxetan-3-ylamino)cyclohexyl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 156561753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).