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

C16H17ClN4O3S — CID 109281904

IUPAC5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cnc(NCc2ccccc2Cl)cn1
InChIInChI=1S/C16H17ClN4O3S/c17-13-4-2-1-3-11(13)7-19-15-9-18-14(8-20-15)16(22)21-12-5-6-25(23,24)10-12/h1-4,8-9,12H,5-7,10H2,(H,19,20)(H,21,22)
InChIKeyCXWFMAZMAVRAHP-UHFFFAOYSA-N
MW380.86 g/mol
LogP1.66
Rot. Bonds5

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

5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide (PubChem CID 109281904) has the molecular formula C16H17ClN4O3S and a molecular weight of 380.86 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
PubChem CID109281904
Molecular FormulaC16H17ClN4O3S
Molecular Weight380.86 g/mol
Exact Mass380.07
IUPAC Name5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cnc(NCc2ccccc2Cl)cn1
InChIInChI=1S/C16H17ClN4O3S/c17-13-4-2-1-3-11(13)7-19-15-9-18-14(8-20-15)16(22)21-12-5-6-25(23,24)10-12/h1-4,8-9,12H,5-7,10H2,(H,19,20)(H,21,22)
InChIKeyCXWFMAZMAVRAHP-UHFFFAOYSA-N
XLogP1.66
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109348511
N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109281808
N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109156849
5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179863
N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109273905
1-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)pyrazole-4-carboxamide
CID 51272859
N-(1,1-dioxothiolan-3-yl)-5-[2-(4-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109284908
5-(2-cyanoanilino)-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 109285229
N-(3-chlorophenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281944
N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282300
N-cyclohexyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109274660
6-(benzylamino)-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109346488

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide (CID 109281904) is 5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cnc(NCc2ccccc2Cl)cn1.
What is the InChIKey of 5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
The InChIKey is CXWFMAZMAVRAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3S/c17-13-4-2-1-3-11(13)7-19-15-9-18-14(8-20-15)16(22)21-12-5-6-25(23,24)10-12/h1-4,8-9,12H,5-7,10H2,(H,19,20)(H,21,22).
What are the key properties of 5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide?
5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide has a molecular weight of 380.86 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109281904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).