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

C16H15N5O3S — CID 109285229

IUPAC5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
SMILESN#Cc1ccccc1Nc1cnc(C(=O)NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C16H15N5O3S/c17-7-11-3-1-2-4-13(11)21-15-9-18-14(8-19-15)16(22)20-12-5-6-25(23,24)10-12/h1-4,8-9,12H,5-6,10H2,(H,19,21)(H,20,22)
InChIKeyHVANZKVNPCJOPJ-UHFFFAOYSA-N
MW357.40 g/mol
LogP1.01
Rot. Bonds4

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

5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide (PubChem CID 109285229) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
PubChem CID109285229
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
SMILESN#Cc1ccccc1Nc1cnc(C(=O)NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C16H15N5O3S/c17-7-11-3-1-2-4-13(11)21-15-9-18-14(8-19-15)16(22)20-12-5-6-25(23,24)10-12/h1-4,8-9,12H,5-6,10H2,(H,19,21)(H,20,22)
InChIKeyHVANZKVNPCJOPJ-UHFFFAOYSA-N
XLogP1.01
TPSA124.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrazine-2-carboxamide
CID 109285381
5-(2-cyanoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294656
methyl 3-[[5-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109285220
5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 109281904
5-(2-cyanoanilino)-N-(4-cyanophenyl)pyrazine-2-carboxamide
CID 109294665
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyrazine-2-carboxamide
CID 109294144
methyl 5-(2-cyanoanilino)pyrazine-2-carboxylate
CID 114059701
N-(1,1-dioxothiolan-3-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159361
5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271713
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
N-cyclopentyl-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109273966
N-cyclohexyl-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109274738

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide (CID 109285229) is 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide is N#Cc1ccccc1Nc1cnc(C(=O)NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
The InChIKey is HVANZKVNPCJOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3S/c17-7-11-3-1-2-4-13(11)21-15-9-18-14(8-19-15)16(22)20-12-5-6-25(23,24)10-12/h1-4,8-9,12H,5-6,10H2,(H,19,21)(H,20,22).
What are the key properties of 5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 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)pyrazine-2-carboxamide is sourced from PubChem (CID 109285229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).