2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one

C24H22N2O5 — CID 648068

IUPAC2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1
InChIInChI=1S/C24H22N2O5/c1-3-30-18-6-4-5-17(13-18)21-20(22(27)19-8-7-15(2)31-19)23(28)24(29)26(21)14-16-9-11-25-12-10-16/h4-13,21,28H,3,14H2,1-2H3
InChIKeyLXQNASURLGZXDD-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.16
Rot. Bonds7

About 2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one

2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (PubChem CID 648068) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
PubChem CID648068
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1
InChIInChI=1S/C24H22N2O5/c1-3-30-18-6-4-5-17(13-18)21-20(22(27)19-8-7-15(2)31-19)23(28)24(29)26(21)14-16-9-11-25-12-10-16/h4-13,21,28H,3,14H2,1-2H3
InChIKeyLXQNASURLGZXDD-UHFFFAOYSA-N
XLogP4.16
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one (CID 648068) is 2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is LXQNASURLGZXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-3-30-18-6-4-5-17(13-18)21-20(22(27)19-8-7-15(2)31-19)23(28)24(29)26(21)14-16-9-11-25-12-10-16/h4-13,21,28H,3,14H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one?
2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 418.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-4-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 648068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).