5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide

C17H16N2O3 — CID 166386675

IUPAC5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide
SMILESCc1cc(C(=O)NCCn2ccc(=O)cc2)c2occc2c1
InChIInChI=1S/C17H16N2O3/c1-12-10-13-4-9-22-16(13)15(11-12)17(21)18-5-8-19-6-2-14(20)3-7-19/h2-4,6-7,9-11H,5,8H2,1H3,(H,18,21)
InChIKeyYDNNEMRQCRGRPC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.33
Rot. Bonds4

About 5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide

5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide (PubChem CID 166386675) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide
PubChem CID166386675
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide
SMILESCc1cc(C(=O)NCCn2ccc(=O)cc2)c2occc2c1
InChIInChI=1S/C17H16N2O3/c1-12-10-13-4-9-22-16(13)15(11-12)17(21)18-5-8-19-6-2-14(20)3-7-19/h2-4,6-7,9-11H,5,8H2,1H3,(H,18,21)
InChIKeyYDNNEMRQCRGRPC-UHFFFAOYSA-N
XLogP2.33
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide?
The IUPAC name of 5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide (CID 166386675) is 5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide is Cc1cc(C(=O)NCCn2ccc(=O)cc2)c2occc2c1.
What is the InChIKey of 5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide?
The InChIKey is YDNNEMRQCRGRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-10-13-4-9-22-16(13)15(11-12)17(21)18-5-8-19-6-2-14(20)3-7-19/h2-4,6-7,9-11H,5,8H2,1H3,(H,18,21).
What are the key properties of 5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide?
5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 166386675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).