methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate

C15H14N4O8S — CID 55834843

IUPACmethyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1=O
InChIInChI=1S/C15H14N4O8S/c1-27-15(22)12-6-10(19(23)24)7-18(14(12)21)8-13(20)17-9-2-4-11(5-3-9)28(16,25)26/h2-7H,8H2,1H3,(H,17,20)(H2,16,25,26)
InChIKeyJQVJPNUYPDTSMM-UHFFFAOYSA-N
MW410.36 g/mol
LogP-0.17
Rot. Bonds6

About methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate

methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate (PubChem CID 55834843) has the molecular formula C15H14N4O8S and a molecular weight of 410.36 g/mol. Its IUPAC name is methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate
PubChem CID55834843
Molecular FormulaC15H14N4O8S
Molecular Weight410.36 g/mol
Exact Mass410.05
IUPAC Namemethyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1=O
InChIInChI=1S/C15H14N4O8S/c1-27-15(22)12-6-10(19(23)24)7-18(14(12)21)8-13(20)17-9-2-4-11(5-3-9)28(16,25)26/h2-7H,8H2,1H3,(H,17,20)(H2,16,25,26)
InChIKeyJQVJPNUYPDTSMM-UHFFFAOYSA-N
XLogP-0.17
TPSA180.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxylate
CID 55561632
N-(4-tert-butylphenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572524
N-(4-anilinophenyl)-2-(3-methyl-5-nitro-2-oxo-1-pyridinyl)acetamide
CID 84572516
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-chloro-5-nitrobenzoate
CID 5065869
methyl 1-[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl]-5-nitro-6-oxopyridine-3-carboxylate
CID 55667500
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(4-sulfamoylphenyl)acetamide
CID 38932613
methyl 1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitro-2-oxopyridine-3-carboxylate
CID 78881031
methyl 1-[2-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxylate
CID 60523168
2-(5-ethylindol-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 110831240
N-(4-bromophenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890242
2-[(4Z)-4-[(4-nitrophenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 16963563
N-(4-methylsulfonylphenyl)-2-(7-nitro-4-oxoquinazolin-3-yl)acetamide
CID 55465478

Frequently Asked Questions

What is the IUPAC name of methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate (CID 55834843) is methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate is COC(=O)c1cc([N+](=O)[O-])cn(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1=O.
What is the InChIKey of methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate?
The InChIKey is JQVJPNUYPDTSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O8S/c1-27-15(22)12-6-10(19(23)24)7-18(14(12)21)8-13(20)17-9-2-4-11(5-3-9)28(16,25)26/h2-7H,8H2,1H3,(H,17,20)(H2,16,25,26).
What are the key properties of methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate?
methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate has a molecular weight of 410.36 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-nitro-2-oxo-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]pyridine-3-carboxylate is sourced from PubChem (CID 55834843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).