2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide

C16H15N3O2 — CID 28767802

IUPAC2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide
SMILESCc1cnc(CNC(=O)c2cccc3cc(C)oc23)cn1
InChIInChI=1S/C16H15N3O2/c1-10-7-18-13(8-17-10)9-19-16(20)14-5-3-4-12-6-11(2)21-15(12)14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyVXNDQCKDQSYDEF-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.77
Rot. Bonds3

About 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide

2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide (PubChem CID 28767802) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide
PubChem CID28767802
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide
SMILESCc1cnc(CNC(=O)c2cccc3cc(C)oc23)cn1
InChIInChI=1S/C16H15N3O2/c1-10-7-18-13(8-17-10)9-19-16(20)14-5-3-4-12-6-11(2)21-15(12)14/h3-8H,9H2,1-2H3,(H,19,20)
InChIKeyVXNDQCKDQSYDEF-UHFFFAOYSA-N
XLogP2.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide?
The IUPAC name of 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide (CID 28767802) is 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide is Cc1cnc(CNC(=O)c2cccc3cc(C)oc23)cn1.
What is the InChIKey of 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide?
The InChIKey is VXNDQCKDQSYDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-7-18-13(8-17-10)9-19-16(20)14-5-3-4-12-6-11(2)21-15(12)14/h3-8H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide?
2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 28767802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).