9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide

C21H26FN5O6S — CID 54682240

IUPAC9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN(C(=O)CS(=O)(=O)N(C)C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
InChIInChI=1S/C21H26FN5O6S/c1-25(2)34(32,33)12-16(28)26(3)15-5-4-10-27-19(15)24-17(18(29)21(27)31)20(30)23-11-13-6-8-14(22)9-7-13/h6-9,15,29H,4-5,10-12H2,1-3H3,(H,23,30)
InChIKeyUAKGCWPAZQCGTD-UHFFFAOYSA-N
MW495.53 g/mol
LogP0.20
Rot. Bonds7

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

9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (PubChem CID 54682240) has the molecular formula C21H26FN5O6S and a molecular weight of 495.53 g/mol. Its IUPAC name is 9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
PubChem CID54682240
Molecular FormulaC21H26FN5O6S
Molecular Weight495.53 g/mol
Exact Mass495.16
IUPAC Name9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
SMILESCN(C(=O)CS(=O)(=O)N(C)C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O
InChIInChI=1S/C21H26FN5O6S/c1-25(2)34(32,33)12-16(28)26(3)15-5-4-10-27-19(15)24-17(18(29)21(27)31)20(30)23-11-13-6-8-14(22)9-7-13/h6-9,15,29H,4-5,10-12H2,1-3H3,(H,23,30)
InChIKeyUAKGCWPAZQCGTD-UHFFFAOYSA-N
XLogP0.20
TPSA141.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of 9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide (CID 54682240) is 9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for 9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is CN(C(=O)CS(=O)(=O)N(C)C)C1CCCn2c1nc(C(=O)NCc1ccc(F)cc1)c(O)c2=O.
What is the InChIKey of 9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is UAKGCWPAZQCGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O6S/c1-25(2)34(32,33)12-16(28)26(3)15-5-4-10-27-19(15)24-17(18(29)21(27)31)20(30)23-11-13-6-8-14(22)9-7-13/h6-9,15,29H,4-5,10-12H2,1-3H3,(H,23,30).
What are the key properties of 9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide?
9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 495.53 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(dimethylsulfamoyl)acetyl]-methylamino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 54682240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).