5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one

C97H158N8O6S — CID 158553442

About 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one

5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one (PubChem CID 158553442) has the molecular formula C97H158N8O6S and a molecular weight of 1564.45 g/mol. Its IUPAC name is 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one
• PubChem CID: 158553442
• Molecular Formula: C97H158N8O6S
• Molecular Weight: 1564.45 g/mol
• Exact Mass: 1563.20
• IUPAC Name: 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one
• SMILES: CC(C)(C)c1c[nH]c(=O)c(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cn(C)c1=O.COC1NC=C(C(C)(C)C)C=C1C(C)(C)C.COc1c(C(C)(C)C)cc(C(C)(C)C)nc1C#N.COc1cnc(C(C)(C)C)cc1C(C)(C)C.CS(=O)c1cnc(C(C)(C)C)cc1C(C)(C)C.Cc1ncc(C(C)(C)C)cc1C(C)(C)C
• InChI: InChI=1S/C15H22N2O.C14H23NOS.C14H23NO.C14H25NO.C14H23N.2C13H21NO/c1-14(2,3)10-8-12(15(4,5)6)17-11(9-16)13(10)18-7;1-13(2,3)10-8-12(14(4,5)6)15-9-11(10)17(7)16;1-13(2,3)10-8-12(14(4,5)6)15-9-11(10)16-7;1-13(2,3)10-8-11(14(4,5)6)12(16-7)15-9-10;1-10-12(14(5,6)7)8-11(9-15-10)13(2,3)4;1-12(2,3)9-7-10(13(4,5)6)11(15)14-8-9;1-9(2)11-7-10(13(3,4)5)8-14(6)12(11)15/h8H,1-7H3;8-9H,1-7H3;8-9H,1-7H3;8-9,12,15H,1-7H3;8-9H,1-7H3;7-8H,1-6H3,(H,14,15);7-9H,1-6H3
• InChIKey: HPZNMLCYEGWQQJ-UHFFFAOYSA-N
• XLogP: 23.88
• TPSA: 187.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1564.45
LogP ≤ 5	23.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one?

The IUPAC name of 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one (CID 158553442) is 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one.

What is the SMILES notation for 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one?

The canonical SMILES for 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one is CC(C)(C)c1c[nH]c(=O)c(C(C)(C)C)c1.CC(C)c1cc(C(C)(C)C)cn(C)c1=O.COC1NC=C(C(C)(C)C)C=C1C(C)(C)C.COc1c(C(C)(C)C)cc(C(C)(C)C)nc1C#N.COc1cnc(C(C)(C)C)cc1C(C)(C)C.CS(=O)c1cnc(C(C)(C)C)cc1C(C)(C)C.Cc1ncc(C(C)(C)C)cc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one?

The InChIKey is HPZNMLCYEGWQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C14H23NOS.C14H23NO.C14H25NO.C14H23N.2C13H21NO/c1-14(2,3)10-8-12(15(4,5)6)17-11(9-16)13(10)18-7;1-13(2,3)10-8-12(14(4,5)6)15-9-11(10)17(7)16;1-13(2,3)10-8-12(14(4,5)6)15-9-11(10)16-7;1-13(2,3)10-8-11(14(4,5)6)12(16-7)15-9-10;1-10-12(14(5,6)7)8-11(9-15-10)13(2,3)4;1-12(2,3)9-7-10(13(4,5)6)11(15)14-8-9;1-9(2)11-7-10(13(3,4)5)8-14(6)12(11)15/h8H,1-7H3;8-9H,1-7H3;8-9H,1-7H3;8-9,12,15H,1-7H3;8-9H,1-7H3;7-8H,1-6H3,(H,14,15);7-9H,1-6H3.

What are the key properties of 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one?

5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one has a molecular weight of 1564.45 g/mol, XLogP of 23.88, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one is sourced from PubChem (CID 158553442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).