6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide

C15H18N4O4S — CID 109159471

About 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide

6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (PubChem CID 109159471) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
• PubChem CID: 109159471
• Molecular Formula: C15H18N4O4S
• Molecular Weight: 350.40 g/mol
• Exact Mass: 350.10
• IUPAC Name: 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccc(N(C)C3CCS(=O)(=O)C3)nc2)no1
• InChI: InChI=1S/C15H18N4O4S/c1-10-7-13(18-23-10)17-15(20)11-3-4-14(16-8-11)19(2)12-5-6-24(21,22)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,17,18,20)
• InChIKey: VYNCCIZDUPRYBH-UHFFFAOYSA-N
• XLogP: 1.25
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.40
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (CID 109159471) is 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(N(C)C3CCS(=O)(=O)C3)nc2)no1.

What is the InChIKey of 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?

The InChIKey is VYNCCIZDUPRYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-10-7-13(18-23-10)17-15(20)11-3-4-14(16-8-11)19(2)12-5-6-24(21,22)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,17,18,20).

What are the key properties of 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?

6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109159471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).