5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide

C17H17N5O3S — CID 109285381

IUPAC5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnc(Nc2ccccc2C#N)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H17N5O3S/c1-22(13-6-7-26(24,25)11-13)17(23)15-9-20-16(10-19-15)21-14-5-3-2-4-12(14)8-18/h2-5,9-10,13H,6-7,11H2,1H3,(H,20,21)
InChIKeyUBOREYIJFPKVAG-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.35
Rot. Bonds4

About 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide

5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide (PubChem CID 109285381) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
PubChem CID109285381
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnc(Nc2ccccc2C#N)cn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H17N5O3S/c1-22(13-6-7-26(24,25)11-13)17(23)15-9-20-16(10-19-15)21-14-5-3-2-4-12(14)8-18/h2-5,9-10,13H,6-7,11H2,1H3,(H,20,21)
InChIKeyUBOREYIJFPKVAG-UHFFFAOYSA-N
XLogP1.35
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 109285229
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285387
N-(1,1-dioxothiolan-3-yl)-6-(2-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109159499
N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyanilino)-N-methylpyridine-3-carboxamide
CID 109159509
N-(1,1-dioxothiolan-3-yl)-5-[(2-methoxyphenyl)methylamino]-N-methylpyrazine-2-carboxamide
CID 109282293
N-(1,1-dioxothiolan-3-yl)-5-(2-fluoroanilino)-N-methylpyridine-2-carboxamide
CID 109193246
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285341
methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
CID 114059701
N-(1,1-dioxothiolan-3-yl)-5-(2-methoxyanilino)-N-methylpyridine-2-carboxamide
CID 109193256
N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109309344
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
N-(1,1-dioxothiolan-3-yl)-5-(3-methoxypropylamino)-N-methylpyrazine-2-carboxamide
CID 109276240

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide (CID 109285381) is 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide is CN(C(=O)c1cnc(Nc2ccccc2C#N)cn1)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide?
The InChIKey is UBOREYIJFPKVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-22(13-6-7-26(24,25)11-13)17(23)15-9-20-16(10-19-15)21-14-5-3-2-4-12(14)8-18/h2-5,9-10,13H,6-7,11H2,1H3,(H,20,21).
What are the key properties of 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide?
5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109285381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).