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

C19H18N2O5 — CID 54703490

IUPAC4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C(c2ccc(O)cc2)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C19H18N2O5/c1-9-7-13(23)16(18(25)20-9)15(11-3-5-12(22)6-4-11)17-14(24)8-10(2)21-19(17)26/h3-8,15,22H,1-2H3,(H2,20,23,25)(H2,21,24,26)
InChIKeyNUGPGECMSMRBRE-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.98
Rot. Bonds3

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

4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one (PubChem CID 54703490) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
PubChem CID54703490
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C(c2ccc(O)cc2)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C19H18N2O5/c1-9-7-13(23)16(18(25)20-9)15(11-3-5-12(22)6-4-11)17-14(24)8-10(2)21-19(17)26/h3-8,15,22H,1-2H3,(H2,20,23,25)(H2,21,24,26)
InChIKeyNUGPGECMSMRBRE-UHFFFAOYSA-N
XLogP1.98
TPSA126.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one (CID 54703490) is 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)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)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one is Cc1cc(O)c(C(c2ccc(O)cc2)c2c(O)cc(C)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is NUGPGECMSMRBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-9-7-13(23)16(18(25)20-9)15(11-3-5-12(22)6-4-11)17-14(24)8-10(2)21-19(17)26/h3-8,15,22H,1-2H3,(H2,20,23,25)(H2,21,24,26).
What are the key properties of 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one?
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 354.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 5 hydrogen bond donors, and 5 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)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54703490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).