methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate

C16H18N4O4S — CID 68529012

IUPACmethyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cnc1N
InChIInChI=1S/C16H18N4O4S/c1-24-16(21)14-15(17)18-10-13(19-14)11-4-6-12(7-5-11)25(22,23)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3,(H2,17,18)
InChIKeyWXCKJYJFUBTLOV-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.30
Rot. Bonds4

About methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate

methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate (PubChem CID 68529012) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate
PubChem CID68529012
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Namemethyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cnc1N
InChIInChI=1S/C16H18N4O4S/c1-24-16(21)14-15(17)18-10-13(19-14)11-4-6-12(7-5-11)25(22,23)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3,(H2,17,18)
InChIKeyWXCKJYJFUBTLOV-UHFFFAOYSA-N
XLogP1.30
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate (CID 68529012) is methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate is COC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cnc1N.
What is the InChIKey of methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate?
The InChIKey is WXCKJYJFUBTLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-24-16(21)14-15(17)18-10-13(19-14)11-4-6-12(7-5-11)25(22,23)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3,(H2,17,18).
What are the key properties of methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate?
methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxylate is sourced from PubChem (CID 68529012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).