1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide

C24H28N2O3S — CID 26330920

About 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide

1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide (PubChem CID 26330920) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide
• PubChem CID: 26330920
• Molecular Formula: C24H28N2O3S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.18
• IUPAC Name: 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide
• SMILES: CC[C@H](NC(=O)c1c(C)n(CCc2ccccc2OC)c(C)cc1=O)c1cccs1
• InChI: InChI=1S/C24H28N2O3S/c1-5-19(22-11-8-14-30-22)25-24(28)23-17(3)26(16(2)15-20(23)27)13-12-18-9-6-7-10-21(18)29-4/h6-11,14-15,19H,5,12-13H2,1-4H3,(H,25,28)/t19-/m0/s1
• InChIKey: OQABPXXKEMNWOY-IBGZPJMESA-N
• XLogP: 4.66
• TPSA: 60.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide?

The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide (CID 26330920) is 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide.

What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide?

The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide is CC[C@H](NC(=O)c1c(C)n(CCc2ccccc2OC)c(C)cc1=O)c1cccs1.

What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide?

The InChIKey is OQABPXXKEMNWOY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-5-19(22-11-8-14-30-22)25-24(28)23-17(3)26(16(2)15-20(23)27)13-12-18-9-6-7-10-21(18)29-4/h6-11,14-15,19H,5,12-13H2,1-4H3,(H,25,28)/t19-/m0/s1.

What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide?

1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-methoxyphenyl)ethyl]-2,6-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 26330920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).