3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide

C18H20N4O2 — CID 71991144

IUPAC3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCN(C)Cc1c(C(=O)N(C)Cc2cnccn2)oc2ccccc12
InChIInChI=1S/C18H20N4O2/c1-21(2)12-15-14-6-4-5-7-16(14)24-17(15)18(23)22(3)11-13-10-19-8-9-20-13/h4-10H,11-12H2,1-3H3
InChIKeyIECMXVQMIVWMRT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.56
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide

3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 71991144) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID71991144
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCN(C)Cc1c(C(=O)N(C)Cc2cnccn2)oc2ccccc12
InChIInChI=1S/C18H20N4O2/c1-21(2)12-15-14-6-4-5-7-16(14)24-17(15)18(23)22(3)11-13-10-19-8-9-20-13/h4-10H,11-12H2,1-3H3
InChIKeyIECMXVQMIVWMRT-UHFFFAOYSA-N
XLogP2.56
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 71991144) is 3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide is CN(C)Cc1c(C(=O)N(C)Cc2cnccn2)oc2ccccc12.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is IECMXVQMIVWMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-21(2)12-15-14-6-4-5-7-16(14)24-17(15)18(23)22(3)11-13-10-19-8-9-20-13/h4-10H,11-12H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide?
3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-methyl-N-(pyrazin-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71991144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).