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

C21H22N2O4 — CID 54677322

IUPAC4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C(CCc2ccccc2)c2c(O)cc(=O)[nH]c2C)c(=O)[nH]1
InChIInChI=1S/C21H22N2O4/c1-12-10-16(24)20(21(27)22-12)15(9-8-14-6-4-3-5-7-14)19-13(2)23-18(26)11-17(19)25/h3-7,10-11,15H,8-9H2,1-2H3,(H2,22,24,27)(H2,23,25,26)
InChIKeyZNXXZSUGPDFPNY-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.86
Rot. Bonds5

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

4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one (PubChem CID 54677322) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one
PubChem CID54677322
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(O)c(C(CCc2ccccc2)c2c(O)cc(=O)[nH]c2C)c(=O)[nH]1
InChIInChI=1S/C21H22N2O4/c1-12-10-16(24)20(21(27)22-12)15(9-8-14-6-4-3-5-7-14)19-13(2)23-18(26)11-17(19)25/h3-7,10-11,15H,8-9H2,1-2H3,(H2,22,24,27)(H2,23,25,26)
InChIKeyZNXXZSUGPDFPNY-UHFFFAOYSA-N
XLogP2.86
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
3-[(2-fluorophenyl)-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54703494
4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-(4-hydroxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
CID 54703490
3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-propan-2-ylpyrazol-3-yl)propanoic acid
CID 71708508
ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
CID 71692313
methyl (3R)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(2-oxo-1H-quinolin-3-yl)propanoate
CID 95860230
ethyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-pyridin-3-ylpropanoate
CID 95859611
3-(benzenesulfinyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54704564
4-benzyl-3,6-dimethyl-1H-pyridin-2-one
CID 71293406
methyl (3S)-3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolin-6-ylpropanoate
CID 95860341
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434
(5S)-2-hydroxy-2-methyl-5-(2-methyl-1H-indol-3-yl)-7-phenylheptan-3-one
CID 102586676

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one (CID 54677322) is 4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one is Cc1cc(O)c(C(CCc2ccccc2)c2c(O)cc(=O)[nH]c2C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is ZNXXZSUGPDFPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-12-10-16(24)20(21(27)22-12)15(9-8-14-6-4-3-5-7-14)19-13(2)23-18(26)11-17(19)25/h3-7,10-11,15H,8-9H2,1-2H3,(H2,22,24,27)(H2,23,25,26).
What are the key properties of 4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one?
4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[1-(4-hydroxy-2-methyl-6-oxo-1H-pyridin-3-yl)-3-phenylpropyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 54677322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).