N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide

C18H22N4O4S — CID 109282293

IUPACN-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C18H22N4O4S/c1-22(14-7-8-27(24,25)12-14)18(23)15-10-21-17(11-19-15)20-9-13-5-3-4-6-16(13)26-2/h3-6,10-11,14H,7-9,12H2,1-2H3,(H,20,21)
InChIKeySKOGWQLGIDOFLU-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.36
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide (PubChem CID 109282293) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide
PubChem CID109282293
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide
SMILESCOc1ccccc1CNc1cnc(C(=O)N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C18H22N4O4S/c1-22(14-7-8-27(24,25)12-14)18(23)15-10-21-17(11-19-15)20-9-13-5-3-4-6-16(13)26-2/h3-6,10-11,14H,7-9,12H2,1-2H3,(H,20,21)
InChIKeySKOGWQLGIDOFLU-UHFFFAOYSA-N
XLogP1.36
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide
CID 109276240
N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280117
N-(1,1-dioxothiolan-3-yl)-6-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 110090624
N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide
CID 109193256
N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109159509
N-cyclohexyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109274660
N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282300
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285341
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234177
5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
CID 109285381
N-(1,1-dioxothiolan-3-yl)-5-(ethylamino)-N-methylpyridine-2-carboxamide
CID 104640345
N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide
CID 110755780

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide (CID 109282293) is N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide is COc1ccccc1CNc1cnc(C(=O)N(C)C2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide?
The InChIKey is SKOGWQLGIDOFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-22(14-7-8-27(24,25)12-14)18(23)15-10-21-17(11-19-15)20-9-13-5-3-4-6-16(13)26-2/h3-6,10-11,14H,7-9,12H2,1-2H3,(H,20,21).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109282293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).