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

C16H17ClN4O3S — CID 109281808

IUPACN-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C16H17ClN4O3S/c17-13-4-2-1-3-11(13)7-20-16(22)14-8-19-15(9-18-14)21-12-5-6-25(23,24)10-12/h1-4,8-9,12H,5-7,10H2,(H,19,21)(H,20,22)
InChIKeyPVAOWNPRNZMARR-UHFFFAOYSA-N
MW380.86 g/mol
LogP1.66
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide (PubChem CID 109281808) has the molecular formula C16H17ClN4O3S and a molecular weight of 380.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
PubChem CID109281808
Molecular FormulaC16H17ClN4O3S
Molecular Weight380.86 g/mol
Exact Mass380.07
IUPAC NameN-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C16H17ClN4O3S/c17-13-4-2-1-3-11(13)7-20-16(22)14-8-19-15(9-18-14)21-12-5-6-25(23,24)10-12/h1-4,8-9,12H,5-7,10H2,(H,19,21)(H,20,22)
InChIKeyPVAOWNPRNZMARR-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

N-[(2-chlorophenyl)methyl]-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109156849
5-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrazine-2-carboxamide
CID 109281904
5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283221
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285271
N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285306
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
6-[(1,1-dioxothiolan-3-yl)amino]-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346920
5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281813
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992
6-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109348511
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 113381834

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide (CID 109281808) is N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide is O=C(NCc1ccccc1Cl)c1cnc(NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
The InChIKey is PVAOWNPRNZMARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3S/c17-13-4-2-1-3-11(13)7-20-16(22)14-8-19-15(9-18-14)21-12-5-6-25(23,24)10-12/h1-4,8-9,12H,5-7,10H2,(H,19,21)(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide?
N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]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 N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109281808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).