5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide

C17H16N2O4 — CID 46883884

IUPAC5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N(C)c3ccc(OC)nc3)cc2c1
InChIInChI=1S/C17H16N2O4/c1-19(12-4-7-16(22-3)18-10-12)17(20)15-9-11-8-13(21-2)5-6-14(11)23-15/h4-10H,1-3H3
InChIKeyNBJTYXILLGTADB-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.12
Rot. Bonds4

About 5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide

5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 46883884) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide
PubChem CID46883884
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)N(C)c3ccc(OC)nc3)cc2c1
InChIInChI=1S/C17H16N2O4/c1-19(12-4-7-16(22-3)18-10-12)17(20)15-9-11-8-13(21-2)5-6-14(11)23-15/h4-10H,1-3H3
InChIKeyNBJTYXILLGTADB-UHFFFAOYSA-N
XLogP3.12
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide (CID 46883884) is 5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)N(C)c3ccc(OC)nc3)cc2c1.
What is the InChIKey of 5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NBJTYXILLGTADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-19(12-4-7-16(22-3)18-10-12)17(20)15-9-11-8-13(21-2)5-6-14(11)23-15/h4-10H,1-3H3.
What are the key properties of 5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide?
5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(6-methoxy-3-pyridinyl)-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46883884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).