1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C20H26N4O3S — CID 92634610

About 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide

1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 92634610) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 92634610
• Molecular Formula: C20H26N4O3S
• Molecular Weight: 402.52 g/mol
• Exact Mass: 402.17
• IUPAC Name: 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
• SMILES: CC(C)c1csc(NC(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)n1
• InChI: InChI=1S/C20H26N4O3S/c1-13(2)16-12-28-20(22-16)23-19(27)14-8-9-18(26)24(10-14)11-17(25)21-15-6-4-3-5-7-15/h8-10,12-13,15H,3-7,11H2,1-2H3,(H,21,25)(H,22,23,27)
• InChIKey: HWYUMIZWSQVFEN-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.52
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 92634610) is 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide is CC(C)c1csc(NC(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)n1.

What is the InChIKey of 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is HWYUMIZWSQVFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-13(2)16-12-28-20(22-16)23-19(27)14-8-9-18(26)24(10-14)11-17(25)21-15-6-4-3-5-7-15/h8-10,12-13,15H,3-7,11H2,1-2H3,(H,21,25)(H,22,23,27).

What are the key properties of 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide?

1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(cyclohexylamino)-2-oxoethyl]-6-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 92634610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).