2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide

C24H30N4O2 — CID 55735627

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCCN1CCN(c2ccc(CNC(=O)Cc3coc4cc(C)c(C)cc34)cn2)CC1
InChIInChI=1S/C24H30N4O2/c1-4-27-7-9-28(10-8-27)23-6-5-19(14-25-23)15-26-24(29)13-20-16-30-22-12-18(3)17(2)11-21(20)22/h5-6,11-12,14,16H,4,7-10,13,15H2,1-3H3,(H,26,29)
InChIKeyVGCIQQOKKRSUAK-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.45
Rot. Bonds6

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide (PubChem CID 55735627) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
PubChem CID55735627
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
SMILESCCN1CCN(c2ccc(CNC(=O)Cc3coc4cc(C)c(C)cc34)cn2)CC1
InChIInChI=1S/C24H30N4O2/c1-4-27-7-9-28(10-8-27)23-6-5-19(14-25-23)15-26-24(29)13-20-16-30-22-12-18(3)17(2)11-21(20)22/h5-6,11-12,14,16H,4,7-10,13,15H2,1-3H3,(H,26,29)
InChIKeyVGCIQQOKKRSUAK-UHFFFAOYSA-N
XLogP3.45
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide 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

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 42444610
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 55820732
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430632
3-cyclohexyl-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55744205
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]but-2-ynamide
CID 146083518
N-[3-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55735754
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55744485
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55744150
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]propanamide
CID 55819065
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2,6-dimethylquinoline-3-carboxamide
CID 47057738

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide (CID 55735627) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide is CCN1CCN(c2ccc(CNC(=O)Cc3coc4cc(C)c(C)cc34)cn2)CC1.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
The InChIKey is VGCIQQOKKRSUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-27-7-9-28(10-8-27)23-6-5-19(14-25-23)15-26-24(29)13-20-16-30-22-12-18(3)17(2)11-21(20)22/h5-6,11-12,14,16H,4,7-10,13,15H2,1-3H3,(H,26,29).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 55735627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).