9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide

C19H25FN5O5S+ — CID 142913895

About 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide

9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide (PubChem CID 142913895) has the molecular formula C19H25FN5O5S+ and a molecular weight of 454.50 g/mol. Its IUPAC name is 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide.

Molecular Properties

• Compound Name: 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide
• PubChem CID: 142913895
• Molecular Formula: C19H25FN5O5S+
• Molecular Weight: 454.50 g/mol
• Exact Mass: 454.16
• IUPAC Name: 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide
• SMILES: CN(C)S(=O)(=O)N(C)C1CCCn2c1[nH+]c(C(=O)NCc1ccc(F)cc1)c(O)c2=O
• InChI: InChI=1S/C19H24FN5O5S/c1-23(2)31(29,30)24(3)14-5-4-10-25-17(14)22-15(16(26)19(25)28)18(27)21-11-12-6-8-13(20)9-7-12/h6-9,14,26H,4-5,10-11H2,1-3H3,(H,21,27)/p+1
• InChIKey: MCDBKPBDTVBVTL-UHFFFAOYSA-O
• XLogP: 0.01
• TPSA: 126.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.50
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide?

The IUPAC name of 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide (CID 142913895) is 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide.

What is the SMILES notation for 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide?

The canonical SMILES for 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide is CN(C)S(=O)(=O)N(C)C1CCCn2c1[nH+]c(C(=O)NCc1ccc(F)cc1)c(O)c2=O.

What is the InChIKey of 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide?

The InChIKey is MCDBKPBDTVBVTL-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24FN5O5S/c1-23(2)31(29,30)24(3)14-5-4-10-25-17(14)22-15(16(26)19(25)28)18(27)21-11-12-6-8-13(20)9-7-12/h6-9,14,26H,4-5,10-11H2,1-3H3,(H,21,27)/p+1.

What are the key properties of 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide?

9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide has a molecular weight of 454.50 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[dimethylsulfamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-2-carboxamide is sourced from PubChem (CID 142913895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).