4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide

C23H20N2O4 — CID 46948651

IUPAC4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc(OC)nc3)c3occc23)c(C)c1
InChIInChI=1S/C23H20N2O4/c1-14-12-16(27-2)5-6-17(14)18-7-8-20(22-19(18)10-11-29-22)23(26)25-15-4-9-21(28-3)24-13-15/h4-13H,1-3H3,(H,25,26)
InChIKeyGHQSNVPDSKJDSD-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.07
Rot. Bonds5

About 4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide

4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide (PubChem CID 46948651) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide
PubChem CID46948651
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide
SMILESCOc1ccc(-c2ccc(C(=O)Nc3ccc(OC)nc3)c3occc23)c(C)c1
InChIInChI=1S/C23H20N2O4/c1-14-12-16(27-2)5-6-17(14)18-7-8-20(22-19(18)10-11-29-22)23(26)25-15-4-9-21(28-3)24-13-15/h4-13H,1-3H3,(H,25,26)
InChIKeyGHQSNVPDSKJDSD-UHFFFAOYSA-N
XLogP5.07
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((2-ethylphenyl)methoxy)-N-(pyridin-3-yl)benzamide
CID 118911741
2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide
CID 68107965
(S)-7-methoxy-1-((5-oxopyrrolidin-2-yl)methoxy)isoquinoline-6-carboxamide
CID 118414336
(S)-7-ethoxy-1-((5-oxopyrrolidin-2-yl)methoxy)isoquinoline-6-carboxamide
CID 118414397
(S)-7-isopropoxy-1-((5-oxopyrrolidin-2-yl)methoxy)isoquinoline-6-carboxamide
CID 118414671
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-4-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275494
US10329302, Example 246
CID 118414094
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-(6-methoxypyridin-3-yl)benzamide
CID 2092122
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)benzofuran-3-carboxamide
CID 44251240
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
CID 59275242

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide (CID 46948651) is 4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide is COc1ccc(-c2ccc(C(=O)Nc3ccc(OC)nc3)c3occc23)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide?
The InChIKey is GHQSNVPDSKJDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-12-16(27-2)5-6-17(14)18-7-8-20(22-19(18)10-11-29-22)23(26)25-15-4-9-21(28-3)24-13-15/h4-13H,1-3H3,(H,25,26).
What are the key properties of 4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide?
4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46948651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).