1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one

C36H43N3O3S — CID 160851923

About 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one

1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one (PubChem CID 160851923) has the molecular formula C36H43N3O3S and a molecular weight of 597.83 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one
• PubChem CID: 160851923
• Molecular Formula: C36H43N3O3S
• Molecular Weight: 597.83 g/mol
• Exact Mass: 597.30
• IUPAC Name: 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one
• SMILES: CCc1cccc(CC)c1-n1c(CC(C)C)c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(OC)cc3)c(C)s2)c1=O
• InChI: InChI=1S/C36H43N3O3S/c1-7-25-13-12-14-26(8-2)33(25)39-31(21-23(3)4)29(35(40)38-19-10-9-11-20-38)22-30(36(39)41)34-37-32(24(5)43-34)27-15-17-28(42-6)18-16-27/h12-18,22-23H,7-11,19-21H2,1-6H3
• InChIKey: SJJGQBRTTJAITP-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 64.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.83
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

The IUPAC name of 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one (CID 160851923) is 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one.

What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

The canonical SMILES for 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one is CCc1cccc(CC)c1-n1c(CC(C)C)c(C(=O)N2CCCCC2)cc(-c2nc(-c3ccc(OC)cc3)c(C)s2)c1=O.

What is the InChIKey of 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

The InChIKey is SJJGQBRTTJAITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H43N3O3S/c1-7-25-13-12-14-26(8-2)33(25)39-31(21-23(3)4)29(35(40)38-19-10-9-11-20-38)22-30(36(39)41)34-37-32(24(5)43-34)27-15-17-28(42-6)18-16-27/h12-18,22-23H,7-11,19-21H2,1-6H3.

What are the key properties of 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one?

1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one has a molecular weight of 597.83 g/mol, XLogP of 7.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diethylphenyl)-3-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-(2-methylpropyl)-5-(piperidine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 160851923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).