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

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Related Compounds

2,6-diamino-N-[(6-ethoxy-1-benzofuran-2-yl)methyl]pyridine-3-carboxamide
CID 11960730
3-[1-[[6-[(E)-but-2-enoxy]-1-benzofuran-2-yl]methylamino]ethenyl]pyridin-2-amine
CID 89316318
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 106377156
2,6-diamino-N-[[6-[2-[(3E)-penta-1,3-dien-3-yl]oxyethoxy]-1-benzofuran-2-yl]methyl]pyridine-3-carboxamide;ethene
CID 143305154
3-[1-[[6-(2-methylbutoxy)-1-benzofuran-2-yl]methylamino]ethenyl]pyridine-2,6-diamine
CID 89316306
2-amino-N-[(4-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334708
2-amino-N-[(5-benzylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 23130667
2-amino-N-[[4-(3-propan-2-ylphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104254
2-amino-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843271
2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
CID 171388806
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-3-carboxamide
CID 62073972
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448

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).