7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

C22H25N5O5S — CID 55582558

IUPAC7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C22H25N5O5S/c1-11(2)10-27-19-18(21(29)26-22(27)30)15(9-16(25-19)13-5-6-13)20(28)24-14-7-4-12(3)17(8-14)33(23,31)32/h4,7-9,11,13H,5-6,10H2,1-3H3,(H,24,28)(H2,23,31,32)(H,26,29,30)
InChIKeyMUTZMCBMQODZJP-UHFFFAOYSA-N
MW471.54 g/mol
LogP1.83
Rot. Bonds6

About 7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide

7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (PubChem CID 55582558) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
PubChem CID55582558
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C22H25N5O5S/c1-11(2)10-27-19-18(21(29)26-22(27)30)15(9-16(25-19)13-5-6-13)20(28)24-14-7-4-12(3)17(8-14)33(23,31)32/h4,7-9,11,13H,5-6,10H2,1-3H3,(H,24,28)(H2,23,31,32)(H,26,29,30)
InChIKeyMUTZMCBMQODZJP-UHFFFAOYSA-N
XLogP1.83
TPSA157.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 37133161
N-(3-aminobutyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 119497025
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-[3-(1,3-thiazol-2-yl)phenyl]pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55990465
7-cyclopropyl-2,4-dioxo-N-[4-(propan-2-ylcarbamoyl)phenyl]-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55887282
7-cyclopropyl-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55972944
7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxo-N-(2,2,2-trifluoro-1-phenylethyl)pyrido[2,3-d]pyrimidine-5-carboxamide
CID 55985680
N-(4-anilinophenyl)-7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 37126644
7-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266376
N-(1,3-benzodioxol-5-ylmethyl)-7-cyclopropyl-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 39266452
5-(3-anilinopyrrolidine-1-carbonyl)-7-cyclopropyl-1-(2-methylpropyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 56580871
7-cyclopropyl-N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(2-methylpropyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55587538
N-[4-(1H-benzimidazol-2-yl)phenyl]-7-cyclopropyl-1-ethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 55580941

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide (CID 55582558) is 7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(=O)[nH]c(=O)n3CC(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is MUTZMCBMQODZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-11(2)10-27-19-18(21(29)26-22(27)30)15(9-16(25-19)13-5-6-13)20(28)24-14-7-4-12(3)17(8-14)33(23,31)32/h4,7-9,11,13H,5-6,10H2,1-3H3,(H,24,28)(H2,23,31,32)(H,26,29,30).
What are the key properties of 7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide?
7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-(2-methylpropyl)-N-(4-methyl-3-sulfamoylphenyl)-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 55582558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).