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

C17H14N2O4 — CID 15887290

IUPAC2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)c2cc(C(C)=O)oc12
InChIInChI=1S/C17H14N2O4/c1-10(20)15-9-13-12(3-4-14(22-2)16(13)23-15)17(21)19-11-5-7-18-8-6-11/h3-9H,1-2H3,(H,18,19,21)
InChIKeyPVLQCKVDYPCWRJ-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.29
Rot. Bonds4

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

2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide (PubChem CID 15887290) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide
PubChem CID15887290
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)c2cc(C(C)=O)oc12
InChIInChI=1S/C17H14N2O4/c1-10(20)15-9-13-12(3-4-14(22-2)16(13)23-15)17(21)19-11-5-7-18-8-6-11/h3-9H,1-2H3,(H,18,19,21)
InChIKeyPVLQCKVDYPCWRJ-UHFFFAOYSA-N
XLogP3.29
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide?
The IUPAC name of 2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide (CID 15887290) is 2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide.
What is the SMILES notation for 2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide?
The canonical SMILES for 2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide is COc1ccc(C(=O)Nc2ccncc2)c2cc(C(C)=O)oc12.
What is the InChIKey of 2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide?
The InChIKey is PVLQCKVDYPCWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-10(20)15-9-13-12(3-4-14(22-2)16(13)23-15)17(21)19-11-5-7-18-8-6-11/h3-9H,1-2H3,(H,18,19,21).
What are the key properties of 2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide?
2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-7-methoxy-N-pyridin-4-yl-1-benzofuran-4-carboxamide is sourced from PubChem (CID 15887290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).