5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide

C17H16N2O3 — CID 24982418

IUPAC5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(C)cn3)c(C)c2c1
InChIInChI=1S/C17H16N2O3/c1-10-4-7-15(18-9-10)19-17(20)16-11(2)13-8-12(21-3)5-6-14(13)22-16/h4-9H,1-3H3,(H,18,19,20)
InChIKeyKXKQHRSIOWWXEJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.71
Rot. Bonds3

About 5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (PubChem CID 24982418) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
PubChem CID24982418
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(C)cn3)c(C)c2c1
InChIInChI=1S/C17H16N2O3/c1-10-4-7-15(18-9-10)19-17(20)16-11(2)13-8-12(21-3)5-6-14(13)22-16/h4-9H,1-3H3,(H,18,19,20)
InChIKeyKXKQHRSIOWWXEJ-UHFFFAOYSA-N
XLogP3.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide (CID 24982418) is 5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3ccc(C)cn3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
The InChIKey is KXKQHRSIOWWXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-4-7-15(18-9-10)19-17(20)16-11(2)13-8-12(21-3)5-6-14(13)22-16/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24982418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).