4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one

C22H24N2O7 — CID 54703497

IUPAC4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(OC)c(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)cc1OC
InChIInChI=1S/C22H24N2O7/c1-10-6-13(25)19(21(27)23-10)18(20-14(26)7-11(2)24-22(20)28)12-8-16(30-4)17(31-5)9-15(12)29-3/h6-9,18H,1-5H3,(H2,23,25,27)(H2,24,26,28)
InChIKeyZIEZKXJKEOCNBI-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.30
Rot. Bonds6

About 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one

4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one (PubChem CID 54703497) has the molecular formula C22H24N2O7 and a molecular weight of 428.44 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
PubChem CID54703497
Molecular FormulaC22H24N2O7
Molecular Weight428.44 g/mol
Exact Mass428.16
IUPAC Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCOc1cc(OC)c(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)cc1OC
InChIInChI=1S/C22H24N2O7/c1-10-6-13(25)19(21(27)23-10)18(20-14(26)7-11(2)24-22(20)28)12-8-16(30-4)17(31-5)9-15(12)29-3/h6-9,18H,1-5H3,(H2,23,25,27)(H2,24,26,28)
InChIKeyZIEZKXJKEOCNBI-UHFFFAOYSA-N
XLogP2.30
TPSA133.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one (CID 54703497) is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one is COc1cc(OC)c(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)cc1OC.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is ZIEZKXJKEOCNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7/c1-10-6-13(25)19(21(27)23-10)18(20-14(26)7-11(2)24-22(20)28)12-8-16(30-4)17(31-5)9-15(12)29-3/h6-9,18H,1-5H3,(H2,23,25,27)(H2,24,26,28).
What are the key properties of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 428.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(2,4,5-trimethoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54703497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).