2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide

C22H20N4O6 — CID 30849156

IUPAC2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccco4)c3=O)n2)cc1OC
InChIInChI=1S/C22H20N4O6/c1-29-17-8-7-14(11-18(17)30-2)20-24-21(32-25-20)16-6-3-9-26(22(16)28)13-19(27)23-12-15-5-4-10-31-15/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIKeyVACYCTMZPPIRKK-UHFFFAOYSA-N
MW436.42 g/mol
LogP2.49
Rot. Bonds8

About 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide

2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 30849156) has the molecular formula C22H20N4O6 and a molecular weight of 436.42 g/mol. Its IUPAC name is 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID30849156
Molecular FormulaC22H20N4O6
Molecular Weight436.42 g/mol
Exact Mass436.14
IUPAC Name2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccco4)c3=O)n2)cc1OC
InChIInChI=1S/C22H20N4O6/c1-29-17-8-7-14(11-18(17)30-2)20-24-21(32-25-20)16-6-3-9-26(22(16)28)13-19(27)23-12-15-5-4-10-31-15/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIKeyVACYCTMZPPIRKK-UHFFFAOYSA-N
XLogP2.49
TPSA121.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide (CID 30849156) is 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide is COc1ccc(-c2noc(-c3cccn(CC(=O)NCc4ccco4)c3=O)n2)cc1OC.
What is the InChIKey of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VACYCTMZPPIRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O6/c1-29-17-8-7-14(11-18(17)30-2)20-24-21(32-25-20)16-6-3-9-26(22(16)28)13-19(27)23-12-15-5-4-10-31-15/h3-11H,12-13H2,1-2H3,(H,23,27).
What are the key properties of 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide?
2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 436.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 30849156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).