1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide

C18H16F3N5O5S — CID 24674522

IUPAC1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)NCC(F)(F)F)cc3)cnc2n(C)c1=O
InChIInChI=1S/C18H16F3N5O5S/c1-25-14-13(16(28)26(2)17(25)29)7-10(8-22-14)15(27)24-11-3-5-12(6-4-11)32(30,31)23-9-18(19,20)21/h3-8,23H,9H2,1-2H3,(H,24,27)
InChIKeyICOHTQUROJLQDP-UHFFFAOYSA-N
MW471.42 g/mol
LogP0.73
Rot. Bonds5

About 1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide

1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24674522) has the molecular formula C18H16F3N5O5S and a molecular weight of 471.42 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID24674522
Molecular FormulaC18H16F3N5O5S
Molecular Weight471.42 g/mol
Exact Mass471.08
IUPAC Name1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)NCC(F)(F)F)cc3)cnc2n(C)c1=O
InChIInChI=1S/C18H16F3N5O5S/c1-25-14-13(16(28)26(2)17(25)29)7-10(8-22-14)15(27)24-11-3-5-12(6-4-11)32(30,31)23-9-18(19,20)21/h3-8,23H,9H2,1-2H3,(H,24,27)
InChIKeyICOHTQUROJLQDP-UHFFFAOYSA-N
XLogP0.73
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 24674522) is 1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)NCC(F)(F)F)cc3)cnc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ICOHTQUROJLQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O5S/c1-25-14-13(16(28)26(2)17(25)29)7-10(8-22-14)15(27)24-11-3-5-12(6-4-11)32(30,31)23-9-18(19,20)21/h3-8,23H,9H2,1-2H3,(H,24,27).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 471.42 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24674522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).