3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide

C22H25N3O5 — CID 121198864

IUPAC3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2nccnc2-c2ccco2)cc(OCC)c1OCC
InChIInChI=1S/C22H25N3O5/c1-4-27-18-12-15(13-19(28-5-2)21(18)29-6-3)22(26)25-14-16-20(24-10-9-23-16)17-8-7-11-30-17/h7-13H,4-6,14H2,1-3H3,(H,25,26)
InChIKeyHJXWHQBPDRVOQU-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.86
Rot. Bonds10

About 3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide

3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide (PubChem CID 121198864) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
PubChem CID121198864
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
SMILESCCOc1cc(C(=O)NCc2nccnc2-c2ccco2)cc(OCC)c1OCC
InChIInChI=1S/C22H25N3O5/c1-4-27-18-12-15(13-19(28-5-2)21(18)29-6-3)22(26)25-14-16-20(24-10-9-23-16)17-8-7-11-30-17/h7-13H,4-6,14H2,1-3H3,(H,25,26)
InChIKeyHJXWHQBPDRVOQU-UHFFFAOYSA-N
XLogP3.86
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 121198817
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
CID 121023120
3-chloro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198851
3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276832
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 121023123
4-(dimethylsulfamoyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198772
5-fluoro-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 119105906
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-thiophen-2-ylbenzamide
CID 119105875
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]naphthalene-1-carboxamide
CID 121198866
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 121198890
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 119105889

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide (CID 121198864) is 3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide is CCOc1cc(C(=O)NCc2nccnc2-c2ccco2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide?
The InChIKey is HJXWHQBPDRVOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-4-27-18-12-15(13-19(28-5-2)21(18)29-6-3)22(26)25-14-16-20(24-10-9-23-16)17-8-7-11-30-17/h7-13H,4-6,14H2,1-3H3,(H,25,26).
What are the key properties of 3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide?
3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide is sourced from PubChem (CID 121198864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).