6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide

C16H14N4O2S — CID 122276864

IUPAC6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nccnc2-c2ccsc2)cn1
InChIInChI=1S/C16H14N4O2S/c1-22-14-3-2-11(8-19-14)16(21)20-9-13-15(18-6-5-17-13)12-4-7-23-10-12/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyOTYKZAWTTKCWGH-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.54
Rot. Bonds5

About 6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide

6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 122276864) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID122276864
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nccnc2-c2ccsc2)cn1
InChIInChI=1S/C16H14N4O2S/c1-22-14-3-2-11(8-19-14)16(21)20-9-13-15(18-6-5-17-13)12-4-7-23-10-12/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyOTYKZAWTTKCWGH-UHFFFAOYSA-N
XLogP2.54
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide (CID 122276864) is 6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide is COc1ccc(C(=O)NCc2nccnc2-c2ccsc2)cn1.
What is the InChIKey of 6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OTYKZAWTTKCWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-14-3-2-11(8-19-14)16(21)20-9-13-15(18-6-5-17-13)12-4-7-23-10-12/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide?
6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 122276864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).