N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine

C22H21N3O2 — CID 11164244

IUPACN-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCOc1ccc(CNCCc2ccccn2)c2cc(-c3ccccn3)oc12
InChIInChI=1S/C22H21N3O2/c1-26-20-9-8-16(15-23-13-10-17-6-2-4-11-24-17)18-14-21(27-22(18)20)19-7-3-5-12-25-19/h2-9,11-12,14,23H,10,13,15H2,1H3
InChIKeyJCECELYFVHEYSF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.23
Rot. Bonds7

About N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine

N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 11164244) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine
PubChem CID11164244
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCOc1ccc(CNCCc2ccccn2)c2cc(-c3ccccn3)oc12
InChIInChI=1S/C22H21N3O2/c1-26-20-9-8-16(15-23-13-10-17-6-2-4-11-24-17)18-14-21(27-22(18)20)19-7-3-5-12-25-19/h2-9,11-12,14,23H,10,13,15H2,1H3
InChIKeyJCECELYFVHEYSF-UHFFFAOYSA-N
XLogP4.23
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine with MolForge

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Related Compounds

N-benzyl-7-methoxy-4-[(2-pyridin-2-ylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734314
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 102876230
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 43220632
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-pyridin-2-ylethanamine
CID 115572033
7-methoxy-N-(2-phenylethyl)-4-[(2-phenylethylamino)methyl]-1-benzofuran-2-carboxamide
CID 22734211
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 43220642
1-(2-chloro-3,4-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 63625676
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53271885
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 28579130
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441
N-[[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 60712933
2-methoxy-N-[[2-(2-pyridin-2-ylethoxy)phenyl]methyl]ethanamine
CID 63058176

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine (CID 11164244) is N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine is COc1ccc(CNCCc2ccccn2)c2cc(-c3ccccn3)oc12.
What is the InChIKey of N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is JCECELYFVHEYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-26-20-9-8-16(15-23-13-10-17-6-2-4-11-24-17)18-14-21(27-22(18)20)19-7-3-5-12-25-19/h2-9,11-12,14,23H,10,13,15H2,1H3.
What are the key properties of N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine?
N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 359.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-pyridin-2-yl-1-benzofuran-4-yl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 11164244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).