N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide

C18H18N4O5S — CID 55457138

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H18N4O5S/c1-10-5-6-12(28(4,26)27)8-13(10)16(23)20-11-7-14-15(19-9-11)21(2)18(25)22(3)17(14)24/h5-9H,1-4H3,(H,20,23)
InChIKeyJJHCWRUZSXZYQS-UHFFFAOYSA-N
MW402.43 g/mol
LogP0.60
Rot. Bonds3

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide (PubChem CID 55457138) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide
PubChem CID55457138
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C18H18N4O5S/c1-10-5-6-12(28(4,26)27)8-13(10)16(23)20-11-7-14-15(19-9-11)21(2)18(25)22(3)17(14)24/h5-9H,1-4H3,(H,20,23)
InChIKeyJJHCWRUZSXZYQS-UHFFFAOYSA-N
XLogP0.60
TPSA120.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
CID 55456859
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2,5-difluorobenzamide
CID 134009067
2-methyl-5-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 26956314
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide
CID 31520358
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 134009105
4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
CID 134008963
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55451645
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3,3,3-trifluoropropanamide
CID 132971059
2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 166181364
1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 134009055
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55457232

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide (CID 55457138) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is JJHCWRUZSXZYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c1-10-5-6-12(28(4,26)27)8-13(10)16(23)20-11-7-14-15(19-9-11)21(2)18(25)22(3)17(14)24/h5-9H,1-4H3,(H,20,23).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 402.43 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 55457138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).