4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one

C24H28N2O8 — CID 54677228

IUPAC4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one
SMILESCOc1cccc(C(c2c(O)cc(C)n(CCO)c2=O)c2c(O)cc(C)n(CCO)c2=O)c1O
InChIInChI=1S/C24H28N2O8/c1-13-11-16(29)20(23(32)25(13)7-9-27)19(15-5-4-6-18(34-3)22(15)31)21-17(30)12-14(2)26(8-10-28)24(21)33/h4-6,11-12,19,27-31H,7-10H2,1-3H3
InChIKeyRMNFLKWCTARUPC-UHFFFAOYSA-N
MW472.49 g/mol
LogP0.92
Rot. Bonds8

About 4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one

4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one (PubChem CID 54677228) has the molecular formula C24H28N2O8 and a molecular weight of 472.49 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one
PubChem CID54677228
Molecular FormulaC24H28N2O8
Molecular Weight472.49 g/mol
Exact Mass472.18
IUPAC Name4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one
SMILESCOc1cccc(C(c2c(O)cc(C)n(CCO)c2=O)c2c(O)cc(C)n(CCO)c2=O)c1O
InChIInChI=1S/C24H28N2O8/c1-13-11-16(29)20(23(32)25(13)7-9-27)19(15-5-4-6-18(34-3)22(15)31)21-17(30)12-14(2)26(8-10-28)24(21)33/h4-6,11-12,19,27-31H,7-10H2,1-3H3
InChIKeyRMNFLKWCTARUPC-UHFFFAOYSA-N
XLogP0.92
TPSA154.38 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 50.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-3-[(1-ethyl-4-hydroxy-2-methyl-6-oxo-3-pyridinyl)-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54677368
3-[(3-fluorophenyl)-[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]methyl]-4-hydroxy-1-(2-hydroxyethyl)-6-methylpyridin-2-one
CID 54703565
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 54739341
1-ethyl-4-hydroxy-3-[(R)-(2-methoxyphenyl)-(4-phenylpiperazin-1-yl)methyl]-6-methylpyridin-2-one
CID 92762512
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
1-ethyl-3-[(R)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 54739349
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
methyl (3R)-3-[4-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(4-methoxynaphthalen-1-yl)propanoate
CID 99989619
ethyl (3R)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171212314
methyl (3R)-3-(2,4-dimethoxyphenyl)-3-[4-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-6-methyl-2-oxo-3-pyridinyl]propanoate
CID 99993169
2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The IUPAC name of 4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one (CID 54677228) is 4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one is COc1cccc(C(c2c(O)cc(C)n(CCO)c2=O)c2c(O)cc(C)n(CCO)c2=O)c1O.
What is the InChIKey of 4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one?
The InChIKey is RMNFLKWCTARUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O8/c1-13-11-16(29)20(23(32)25(13)7-9-27)19(15-5-4-6-18(34-3)22(15)31)21-17(30)12-14(2)26(8-10-28)24(21)33/h4-6,11-12,19,27-31H,7-10H2,1-3H3.
What are the key properties of 4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one?
4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one has a molecular weight of 472.49 g/mol, XLogP of 0.92, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxyethyl)-3-[[4-hydroxy-1-(2-hydroxyethyl)-6-methyl-2-oxo-3-pyridinyl]-(2-hydroxy-3-methoxyphenyl)methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 54677228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).