ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate

C19H20N4O4S — CID 71680293

IUPACethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3cccc(S(=O)(=O)N(C)C)c3)ccc12
InChIInChI=1S/C19H20N4O4S/c1-4-27-19(24)15-11-21-18(20)17-14(15)8-9-16(22-17)12-6-5-7-13(10-12)28(25,26)23(2)3/h5-11H,4H2,1-3H3,(H2,20,21)
InChIKeyITXRQLQSVWKPAN-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.31
Rot. Bonds5

About ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate

ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate (PubChem CID 71680293) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate
PubChem CID71680293
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Nameethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate
SMILESCCOC(=O)c1cnc(N)c2nc(-c3cccc(S(=O)(=O)N(C)C)c3)ccc12
InChIInChI=1S/C19H20N4O4S/c1-4-27-19(24)15-11-21-18(20)17-14(15)8-9-16(22-17)12-6-5-7-13(10-12)28(25,26)23(2)3/h5-11H,4H2,1-3H3,(H2,20,21)
InChIKeyITXRQLQSVWKPAN-UHFFFAOYSA-N
XLogP2.31
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate?
The IUPAC name of ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate (CID 71680293) is ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate.
What is the SMILES notation for ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate?
The canonical SMILES for ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate is CCOC(=O)c1cnc(N)c2nc(-c3cccc(S(=O)(=O)N(C)C)c3)ccc12.
What is the InChIKey of ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate?
The InChIKey is ITXRQLQSVWKPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-4-27-19(24)15-11-21-18(20)17-14(15)8-9-16(22-17)12-6-5-7-13(10-12)28(25,26)23(2)3/h5-11H,4H2,1-3H3,(H2,20,21).
What are the key properties of ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate?
ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate has a molecular weight of 400.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-2-[3-(dimethylsulfamoyl)phenyl]-1,7-naphthyridine-5-carboxylate is sourced from PubChem (CID 71680293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).