4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide

C20H25N3O4S — CID 170509325

About 4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide

4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide (PubChem CID 170509325) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide
• PubChem CID: 170509325
• Molecular Formula: C20H25N3O4S
• Molecular Weight: 403.50 g/mol
• Exact Mass: 403.16
• IUPAC Name: 4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide
• SMILES: Cc1cc(C2CCOCC2)oc(=O)c1C(=O)NCc1csc(N2CCCC2)n1
• InChI: InChI=1S/C20H25N3O4S/c1-13-10-16(14-4-8-26-9-5-14)27-19(25)17(13)18(24)21-11-15-12-28-20(22-15)23-6-2-3-7-23/h10,12,14H,2-9,11H2,1H3,(H,21,24)
• InChIKey: VMAPUMMRHZUWCQ-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.50
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide (CID 170509325) is 4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide.

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

The canonical SMILES for 4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)NCc1csc(N2CCCC2)n1.

What is the InChIKey of 4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide?

The InChIKey is VMAPUMMRHZUWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13-10-16(14-4-8-26-9-5-14)27-19(25)17(13)18(24)21-11-15-12-28-20(22-15)23-6-2-3-7-23/h10,12,14H,2-9,11H2,1H3,(H,21,24).

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

4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide is sourced from PubChem (CID 170509325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).