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

C20H20N6O3S — CID 16881703

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

6-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide (PubChem CID 16881703) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is 6-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: 6-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
• PubChem CID: 16881703
• Molecular Formula: C20H20N6O3S
• Molecular Weight: 424.49 g/mol
• Exact Mass: 424.13
• IUPAC Name: 6-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(=O)[nH]c1
• InChI: InChI=1S/C20H20N6O3S/c27-17-5-4-14(12-22-17)19(29)24-20-23-15(13-30-20)11-18(28)26-9-7-25(8-10-26)16-3-1-2-6-21-16/h1-6,12-13H,7-11H2,(H,22,27)(H,23,24,29)
• InChIKey: OGODZWWZIGZNOI-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 6-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 6-oxo-N-[4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide (CID 16881703) is 6-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 6-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 6-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(=O)[nH]c1.

What is the InChIKey of 6-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 OGODZWWZIGZNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c27-17-5-4-14(12-22-17)19(29)24-20-23-15(13-30-20)11-18(28)26-9-7-25(8-10-26)16-3-1-2-6-21-16/h1-6,12-13H,7-11H2,(H,22,27)(H,23,24,29).

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

6-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 6-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 16881703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).