5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide

C19H24N4O3S — CID 109285416

IUPAC5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C19H24N4O3S/c1-4-14-7-5-6-13(2)18(14)22-19(24)16-10-21-17(11-20-16)23(3)15-8-9-27(25,26)12-15/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,22,24)
InChIKeySTJJVSZNTRZDMB-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.22
Rot. Bonds5

About 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide (PubChem CID 109285416) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
PubChem CID109285416
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(N(C)C2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C19H24N4O3S/c1-4-14-7-5-6-13(2)18(14)22-19(24)16-10-21-17(11-20-16)23(3)15-8-9-27(25,26)12-15/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,22,24)
InChIKeySTJJVSZNTRZDMB-UHFFFAOYSA-N
XLogP2.22
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyridine-2-carboxamide
CID 109193306
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109122952
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-phenylpyrazine-2-carboxamide
CID 109285400
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285271
N-(2-ethyl-6-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290311
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109285441
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271203
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282934
N-(2,6-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-4-carboxamide
CID 109352658
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109372526
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109351751
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277491

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide (CID 109285416) is 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(N(C)C2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is STJJVSZNTRZDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-4-14-7-5-6-13(2)18(14)22-19(24)16-10-21-17(11-20-16)23(3)15-8-9-27(25,26)12-15/h5-7,10-11,15H,4,8-9,12H2,1-3H3,(H,22,24).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109285416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).