7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide

C20H15N3O3 — CID 46891180

IUPAC7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccccn2)c2cc(C(=O)Nc3ccncc3)oc12
InChIInChI=1S/C20H15N3O3/c1-25-17-6-5-14(16-4-2-3-9-22-16)15-12-18(26-19(15)17)20(24)23-13-7-10-21-11-8-13/h2-12H,1H3,(H,21,23,24)
InChIKeyZERRKWVZOHXIKQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.15
Rot. Bonds4

About 7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide

7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide (PubChem CID 46891180) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
PubChem CID46891180
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2ccccn2)c2cc(C(=O)Nc3ccncc3)oc12
InChIInChI=1S/C20H15N3O3/c1-25-17-6-5-14(16-4-2-3-9-22-16)15-12-18(26-19(15)17)20(24)23-13-7-10-21-11-8-13/h2-12H,1H3,(H,21,23,24)
InChIKeyZERRKWVZOHXIKQ-UHFFFAOYSA-N
XLogP4.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide (CID 46891180) is 7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide is COc1ccc(-c2ccccn2)c2cc(C(=O)Nc3ccncc3)oc12.
What is the InChIKey of 7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
The InChIKey is ZERRKWVZOHXIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-25-17-6-5-14(16-4-2-3-9-22-16)15-12-18(26-19(15)17)20(24)23-13-7-10-21-11-8-13/h2-12H,1H3,(H,21,23,24).
What are the key properties of 7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide?
7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-pyridin-2-yl-N-pyridin-4-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46891180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).