3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide

C16H14N4O2S — CID 59471844

IUPAC3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc(-c2cccs2)cnc1N
InChIInChI=1S/C16H14N4O2S/c1-22-12-6-3-2-5-10(12)20-16(21)14-15(17)18-9-11(19-14)13-7-4-8-23-13/h2-9H,1H3,(H2,17,18)(H,20,21)
InChIKeyBIGOTGVXOUQLFA-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.05
Rot. Bonds4

About 3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide

3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide (PubChem CID 59471844) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide
PubChem CID59471844
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc(-c2cccs2)cnc1N
InChIInChI=1S/C16H14N4O2S/c1-22-12-6-3-2-5-10(12)20-16(21)14-15(17)18-9-11(19-14)13-7-4-8-23-13/h2-9H,1H3,(H2,17,18)(H,20,21)
InChIKeyBIGOTGVXOUQLFA-UHFFFAOYSA-N
XLogP3.05
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide (CID 59471844) is 3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide is COc1ccccc1NC(=O)c1nc(-c2cccs2)cnc1N.
What is the InChIKey of 3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide?
The InChIKey is BIGOTGVXOUQLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-12-6-3-2-5-10(12)20-16(21)14-15(17)18-9-11(19-14)13-7-4-8-23-13/h2-9H,1H3,(H2,17,18)(H,20,21).
What are the key properties of 3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide?
3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyphenyl)-6-thiophen-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 59471844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).