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

C21H22N2O6 — CID 54677311

IUPAC3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCOc1cccc(C(c2c(O)cc(=O)[nH]c2C)c2c(O)cc(C)[nH]c2=O)c1OC
InChIInChI=1S/C21H22N2O6/c1-10-8-13(24)19(21(27)22-10)18(17-11(2)23-16(26)9-14(17)25)12-6-5-7-15(28-3)20(12)29-4/h5-9,18H,1-4H3,(H2,22,24,27)(H2,23,25,26)
InChIKeyPSYHGVTVBYXBFB-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.29
Rot. Bonds5

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

3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one (PubChem CID 54677311) has the molecular formula C21H22N2O6 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one
PubChem CID54677311
Molecular FormulaC21H22N2O6
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one
SMILESCOc1cccc(C(c2c(O)cc(=O)[nH]c2C)c2c(O)cc(C)[nH]c2=O)c1OC
InChIInChI=1S/C21H22N2O6/c1-10-8-13(24)19(21(27)22-10)18(17-11(2)23-16(26)9-14(17)25)12-6-5-7-15(28-3)20(12)29-4/h5-9,18H,1-4H3,(H2,22,24,27)(H2,23,25,26)
InChIKeyPSYHGVTVBYXBFB-UHFFFAOYSA-N
XLogP2.29
TPSA124.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one (CID 54677311) is 3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one is COc1cccc(C(c2c(O)cc(=O)[nH]c2C)c2c(O)cc(C)[nH]c2=O)c1OC.
What is the InChIKey of 3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one?
The InChIKey is PSYHGVTVBYXBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O6/c1-10-8-13(24)19(21(27)22-10)18(17-11(2)23-16(26)9-14(17)25)12-6-5-7-15(28-3)20(12)29-4/h5-9,18H,1-4H3,(H2,22,24,27)(H2,23,25,26).
What are the key properties of 3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one?
3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one has a molecular weight of 398.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxyphenyl)-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54677311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).