3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide

C25H29N3O3S — CID 74374260

About 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide

3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 74374260) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide
• PubChem CID: 74374260
• Molecular Formula: C25H29N3O3S
• Molecular Weight: 451.59 g/mol
• Exact Mass: 451.19
• IUPAC Name: 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide
• SMILES: COc1ccc(-c2cc(C)n(C(CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2)cc1
• InChI: InChI=1S/C25H29N3O3S/c1-17-14-20(19-8-10-21(31-2)11-9-19)16-23(29)28(17)22(15-18-6-4-3-5-7-18)24(30)27-25-26-12-13-32-25/h8-14,16,18,22H,3-7,15H2,1-2H3,(H,26,27,30)
• InChIKey: UXXLVRSPBARMEP-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.59
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide?

The IUPAC name of 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide (CID 74374260) is 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide.

What is the SMILES notation for 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide?

The canonical SMILES for 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide is COc1ccc(-c2cc(C)n(C(CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2)cc1.

What is the InChIKey of 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide?

The InChIKey is UXXLVRSPBARMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-17-14-20(19-8-10-21(31-2)11-9-19)16-23(29)28(17)22(15-18-6-4-3-5-7-18)24(30)27-25-26-12-13-32-25/h8-14,16,18,22H,3-7,15H2,1-2H3,(H,26,27,30).

What are the key properties of 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide?

3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 451.59 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-2-[4-(4-methoxyphenyl)-2-methyl-6-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 74374260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).