2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane

C23H33N3O3 — CID 143305177

IUPAC2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane
SMILESCC.CC.CC(C)COc1ccc2cc(CNC(=O)c3cccnc3N)oc2c1
InChIInChI=1S/C19H21N3O3.2C2H6/c1-12(2)11-24-14-6-5-13-8-15(25-17(13)9-14)10-22-19(23)16-4-3-7-21-18(16)20;2*1-2/h3-9,12H,10-11H2,1-2H3,(H2,20,21)(H,22,23);2*1-2H3
InChIKeyZDMCJEFVNBPJME-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.43
Rot. Bonds6

About 2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane

2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane (PubChem CID 143305177) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane
PubChem CID143305177
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane
SMILESCC.CC.CC(C)COc1ccc2cc(CNC(=O)c3cccnc3N)oc2c1
InChIInChI=1S/C19H21N3O3.2C2H6/c1-12(2)11-24-14-6-5-13-8-15(25-17(13)9-14)10-22-19(23)16-4-3-7-21-18(16)20;2*1-2/h3-9,12H,10-11H2,1-2H3,(H2,20,21)(H,22,23);2*1-2H3
InChIKeyZDMCJEFVNBPJME-UHFFFAOYSA-N
XLogP5.43
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane?
The IUPAC name of 2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane (CID 143305177) is 2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane.
What is the SMILES notation for 2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane?
The canonical SMILES for 2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane is CC.CC.CC(C)COc1ccc2cc(CNC(=O)c3cccnc3N)oc2c1.
What is the InChIKey of 2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane?
The InChIKey is ZDMCJEFVNBPJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.2C2H6/c1-12(2)11-24-14-6-5-13-8-15(25-17(13)9-14)10-22-19(23)16-4-3-7-21-18(16)20;2*1-2/h3-9,12H,10-11H2,1-2H3,(H2,20,21)(H,22,23);2*1-2H3.
What are the key properties of 2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane?
2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane has a molecular weight of 399.54 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-(2-methylpropoxy)-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 143305177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).