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

C24H22N2O6 — CID 3146599

IUPAC2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1OC
InChIInChI=1S/C24H22N2O6/c1-14-6-8-18(32-14)22(27)20-21(16-7-9-17(30-2)19(11-16)31-3)26(24(29)23(20)28)13-15-5-4-10-25-12-15/h4-12,21,28H,13H2,1-3H3
InChIKeyDWIBQYBEMBAJNB-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.78
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 3146599) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID3146599
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1OC
InChIInChI=1S/C24H22N2O6/c1-14-6-8-18(32-14)22(27)20-21(16-7-9-17(30-2)19(11-16)31-3)26(24(29)23(20)28)13-15-5-4-10-25-12-15/h4-12,21,28H,13H2,1-3H3
InChIKeyDWIBQYBEMBAJNB-UHFFFAOYSA-N
XLogP3.78
TPSA102.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 3146599) is 2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is COc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is DWIBQYBEMBAJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-14-6-8-18(32-14)22(27)20-21(16-7-9-17(30-2)19(11-16)31-3)26(24(29)23(20)28)13-15-5-4-10-25-12-15/h4-12,21,28H,13H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 434.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3146599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).