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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Related Compounds

3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 71888966
N-dibenzofuran-3-yl-N'-methyl-N'-(2-pyrazin-2-ylethyl)oxamide
CID 166196221
N-methyl-5-propyl-N-(pyrazin-2-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 56879661
N-methyl-N-(pyrazin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133307707
3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3S)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide
CID 96521734
3-[(dimethylamino)methyl]-N-methyl-N-[(1R,3R)-3-methylsulfanylcyclopentyl]-1-benzofuran-2-carboxamide
CID 96521737
N-methyl-3-(phenoxymethyl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 55675605
3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 166250211
3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 95932852
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 32517009
3-[(dimethylamino)methyl]-N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
CID 71990798

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).