N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

C20H23N5O5S — CID 166189433

IUPACN-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCCC(C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)c1
InChIInChI=1S/C20H23N5O5S/c1-4-12(3)25-31(29,30)10-13-6-5-7-14(9-13)21-18(26)15-8-11(2)16-17(22-15)23-20(28)24-19(16)27/h5-9,12,25H,4,10H2,1-3H3,(H,21,26)(H2,22,23,24,27,28)
InChIKeyXUFQMCCLGKMEGI-UHFFFAOYSA-N
MW445.50 g/mol
LogP1.39
Rot. Bonds7

About N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide

N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 166189433) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID166189433
Molecular FormulaC20H23N5O5S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC NameN-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCCC(C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)c1
InChIInChI=1S/C20H23N5O5S/c1-4-12(3)25-31(29,30)10-13-6-5-7-14(9-13)21-18(26)15-8-11(2)16-17(22-15)23-20(28)24-19(16)27/h5-9,12,25H,4,10H2,1-3H3,(H,21,26)(H2,22,23,24,27,28)
InChIKeyXUFQMCCLGKMEGI-UHFFFAOYSA-N
XLogP1.39
TPSA153.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide with MolForge

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Related Compounds

2-[[3-(butan-2-ylsulfamoylmethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056207
N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 97101295
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide
CID 84592111
N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide
CID 97095744
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
CID 146123313
N-(3-acetyl-4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 167936599
5-methyl-2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 167973003
1-[[3-(butan-2-ylsulfamoylmethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122088207
N-[(2R)-butan-2-yl]-1-[3-(thian-4-ylamino)phenyl]methanesulfonamide
CID 97079815
5-methyl-2,4-dioxo-N-[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 166335392
5-(4-fluorophenyl)-N-[3-(2-methylpropylsulfamoylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 91954163
5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 154839354

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide (CID 166189433) is N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is CCC(C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)[nH]c3n2)c1.
What is the InChIKey of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is XUFQMCCLGKMEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5S/c1-4-12(3)25-31(29,30)10-13-6-5-7-14(9-13)21-18(26)15-8-11(2)16-17(22-15)23-20(28)24-19(16)27/h5-9,12,25H,4,10H2,1-3H3,(H,21,26)(H2,22,23,24,27,28).
What are the key properties of N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide?
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 1.39, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 166189433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).