2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide

C20H20N6O3S — CID 16881577

About 2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide

2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide (PubChem CID 16881577) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is 2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
• PubChem CID: 16881577
• Molecular Formula: C20H20N6O3S
• Molecular Weight: 424.49 g/mol
• Exact Mass: 424.13
• IUPAC Name: 2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
• SMILES: O=C(Nc1nc(CC(=O)N2CCN(c3ccccn3)CC2)cs1)c1ccc[nH]c1=O
• InChI: InChI=1S/C20H20N6O3S/c27-17(26-10-8-25(9-11-26)16-5-1-2-6-21-16)12-14-13-30-20(23-14)24-19(29)15-4-3-7-22-18(15)28/h1-7,13H,8-12H2,(H,22,28)(H,23,24,29)
• InChIKey: ODPZJGAQUPNODD-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.49
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide (CID 16881577) is 2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide.

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

The canonical SMILES for 2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide is O=C(Nc1nc(CC(=O)N2CCN(c3ccccn3)CC2)cs1)c1ccc[nH]c1=O.

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

The InChIKey is ODPZJGAQUPNODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c27-17(26-10-8-25(9-11-26)16-5-1-2-6-21-16)12-14-13-30-20(23-14)24-19(29)15-4-3-7-22-18(15)28/h1-7,13H,8-12H2,(H,22,28)(H,23,24,29).

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

2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide has a molecular weight of 424.49 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 16881577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).