N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide

C17H20N4O5S — CID 109285300

IUPACN-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)c1
InChIInChI=1S/C17H20N4O5S/c1-25-12-3-4-15(26-2)13(7-12)21-17(22)14-8-19-16(9-18-14)20-11-5-6-27(23,24)10-11/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyFBYHKMZNTMSWEF-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.35
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide

N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide (PubChem CID 109285300) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
PubChem CID109285300
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)c1
InChIInChI=1S/C17H20N4O5S/c1-25-12-3-4-15(26-2)13(7-12)21-17(22)14-8-19-16(9-18-14)20-11-5-6-27(23,24)10-11/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyFBYHKMZNTMSWEF-UHFFFAOYSA-N
XLogP1.35
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,5-dimethoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159310
5-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109271885
N-(2,5-dimethoxyphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374016
N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285306
N-(2,4-dimethoxyphenyl)-4-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxamide
CID 109214970
N-(5-chloro-2-methoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122802
N-(5-chloro-2-methoxyphenyl)-5-(cycloheptylamino)pyrazine-2-carboxamide
CID 109287599
5-[(1,1-dioxothiolan-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285324
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109193178
N-(5-chloro-2-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260898
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide (CID 109285300) is N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc(NC3CCS(=O)(=O)C3)cn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
The InChIKey is FBYHKMZNTMSWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-25-12-3-4-15(26-2)13(7-12)21-17(22)14-8-19-16(9-18-14)20-11-5-6-27(23,24)10-11/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109285300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).