N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide

C23H20N2O4 — CID 46942458

IUPACN-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3cccnc3)c3ccoc23)cc1OC
InChIInChI=1S/C23H20N2O4/c1-27-20-8-5-15(12-21(20)28-2)13-25-23(26)19-7-6-17(16-4-3-10-24-14-16)18-9-11-29-22(18)19/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyVBYOTLPOZNOELH-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.44
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide (PubChem CID 46942458) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide
PubChem CID46942458
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3cccnc3)c3ccoc23)cc1OC
InChIInChI=1S/C23H20N2O4/c1-27-20-8-5-15(12-21(20)28-2)13-25-23(26)19-7-6-17(16-4-3-10-24-14-16)18-9-11-29-22(18)19/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyVBYOTLPOZNOELH-UHFFFAOYSA-N
XLogP4.44
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide (CID 46942458) is N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide is COc1ccc(CNC(=O)c2ccc(-c3cccnc3)c3ccoc23)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide?
The InChIKey is VBYOTLPOZNOELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-27-20-8-5-15(12-21(20)28-2)13-25-23(26)19-7-6-17(16-4-3-10-24-14-16)18-9-11-29-22(18)19/h3-12,14H,13H2,1-2H3,(H,25,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-3-yl-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46942458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).