6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C27H28N4O2S — CID 45235668

About 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 45235668) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 45235668
• Molecular Formula: C27H28N4O2S
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.19
• IUPAC Name: 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1nc(C(C)NC(=O)c2c(CCc3ccccc3)n(Cc3ccccn3)c(C)cc2=O)cs1
• InChI: InChI=1S/C27H28N4O2S/c1-18-15-25(32)26(27(33)29-19(2)23-17-34-20(3)30-23)24(13-12-21-9-5-4-6-10-21)31(18)16-22-11-7-8-14-28-22/h4-11,14-15,17,19H,12-13,16H2,1-3H3,(H,29,33)
• InChIKey: COUFGULBJDQIAZ-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 45235668) is 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is Cc1nc(C(C)NC(=O)c2c(CCc3ccccc3)n(Cc3ccccn3)c(C)cc2=O)cs1.

What is the InChIKey of 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?

The InChIKey is COUFGULBJDQIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-18-15-25(32)26(27(33)29-19(2)23-17-34-20(3)30-23)24(13-12-21-9-5-4-6-10-21)31(18)16-22-11-7-8-14-28-22/h4-11,14-15,17,19H,12-13,16H2,1-3H3,(H,29,33).

What are the key properties of 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?

6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 45235668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).