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

C17H14F3N5O5S — CID 24674520

IUPAC1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)NCC(F)(F)F)cc3)cnc21
InChIInChI=1S/C17H14F3N5O5S/c1-25-13-12(15(27)24-16(25)28)6-9(7-21-13)14(26)23-10-2-4-11(5-3-10)31(29,30)22-8-17(18,19)20/h2-7,22H,8H2,1H3,(H,23,26)(H,24,27,28)
InChIKeyPXZLAKZEGQPQAF-UHFFFAOYSA-N
MW457.39 g/mol
LogP0.71
Rot. Bonds5

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

1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide (PubChem CID 24674520) has the molecular formula C17H14F3N5O5S and a molecular weight of 457.39 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
PubChem CID24674520
Molecular FormulaC17H14F3N5O5S
Molecular Weight457.39 g/mol
Exact Mass457.07
IUPAC Name1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
SMILESCn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)NCC(F)(F)F)cc3)cnc21
InChIInChI=1S/C17H14F3N5O5S/c1-25-13-12(15(27)24-16(25)28)6-9(7-21-13)14(26)23-10-2-4-11(5-3-10)31(29,30)22-8-17(18,19)20/h2-7,22H,8H2,1H3,(H,23,26)(H,24,27,28)
InChIKeyPXZLAKZEGQPQAF-UHFFFAOYSA-N
XLogP0.71
TPSA143.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.39
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 138044634
1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 55791000
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 26425964
ethyl (E)-3-[4-[(2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carbonyl)amino]phenyl]prop-2-enoate
CID 46552567
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 9474695
3-methoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474698
4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474816
tert-butyl N-[3-[[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]carbamoyl]phenyl]carbamate
CID 46612905
2,4-dioxo-1-propyl-N-[3-(trifluoromethoxy)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 46553706
6-(dimethylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyridazine-3-carboxamide
CID 56581337
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9474741
N-[4-(2-methoxyphenoxy)phenyl]-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-6-carboxamide
CID 46552519

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide (CID 24674520) is 1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide is Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3ccc(S(=O)(=O)NCC(F)(F)F)cc3)cnc21.
What is the InChIKey of 1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is PXZLAKZEGQPQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O5S/c1-25-13-12(15(27)24-16(25)28)6-9(7-21-13)14(26)23-10-2-4-11(5-3-10)31(29,30)22-8-17(18,19)20/h2-7,22H,8H2,1H3,(H,23,26)(H,24,27,28).
What are the key properties of 1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide?
1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 457.39 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrido[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 24674520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).