1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

C17H17N5O2S — CID 131950032

About 1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 131950032) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 131950032
• Molecular Formula: C17H17N5O2S
• Molecular Weight: 355.42 g/mol
• Exact Mass: 355.11
• IUPAC Name: 1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
• SMILES: Cc1cc(C)n(C)c(=O)c1C(=O)NCc1csc(-c2cnccn2)n1
• InChI: InChI=1S/C17H17N5O2S/c1-10-6-11(2)22(3)17(24)14(10)15(23)20-7-12-9-25-16(21-12)13-8-18-4-5-19-13/h4-6,8-9H,7H2,1-3H3,(H,20,23)
• InChIKey: XIXVKNNZMJJFAG-UHFFFAOYSA-N
• XLogP: 1.85
• TPSA: 89.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.42
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (CID 131950032) is 1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

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

The canonical SMILES for 1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)NCc1csc(-c2cnccn2)n1.

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

The InChIKey is XIXVKNNZMJJFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2S/c1-10-6-11(2)22(3)17(24)14(10)15(23)20-7-12-9-25-16(21-12)13-8-18-4-5-19-13/h4-6,8-9H,7H2,1-3H3,(H,20,23).

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

1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 131950032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).