3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one

C19H18N2O5 — CID 660150

IUPAC3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2cccnc2)c(OC)c1
InChIInChI=1S/C19H18N2O5/c1-11(22)16-17(14-7-6-13(25-2)9-15(14)26-3)21(19(24)18(16)23)12-5-4-8-20-10-12/h4-10,17,23H,1-3H3
InChIKeyKFDDKGASDIPLEI-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.59
Rot. Bonds5

About 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one

3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 660150) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
PubChem CID660150
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2cccnc2)c(OC)c1
InChIInChI=1S/C19H18N2O5/c1-11(22)16-17(14-7-6-13(25-2)9-15(14)26-3)21(19(24)18(16)23)12-5-4-8-20-10-12/h4-10,17,23H,1-3H3
InChIKeyKFDDKGASDIPLEI-UHFFFAOYSA-N
XLogP2.59
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one?
The IUPAC name of 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one (CID 660150) is 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one is COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2cccnc2)c(OC)c1.
What is the InChIKey of 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one?
The InChIKey is KFDDKGASDIPLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-11(22)16-17(14-7-6-13(25-2)9-15(14)26-3)21(19(24)18(16)23)12-5-4-8-20-10-12/h4-10,17,23H,1-3H3.
What are the key properties of 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one?
3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 354.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-1-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 660150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).