ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate

C17H19NO5 — CID 71692313

IUPACethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
SMILESCCOC(=O)CC(c1cccc(O)c1)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C17H19NO5/c1-3-23-15(21)9-13(11-5-4-6-12(19)8-11)16-14(20)7-10(2)18-17(16)22/h4-8,13,19H,3,9H2,1-2H3,(H2,18,20,22)
InChIKeyYKJXWYJDQVADMO-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.18
Rot. Bonds5

About ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate

ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate (PubChem CID 71692313) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
PubChem CID71692313
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Nameethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate
SMILESCCOC(=O)CC(c1cccc(O)c1)c1c(O)cc(C)[nH]c1=O
InChIInChI=1S/C17H19NO5/c1-3-23-15(21)9-13(11-5-4-6-12(19)8-11)16-14(20)7-10(2)18-17(16)22/h4-8,13,19H,3,9H2,1-2H3,(H2,18,20,22)
InChIKeyYKJXWYJDQVADMO-UHFFFAOYSA-N
XLogP2.18
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Diethyl 1,4-dihydro-4-(4-hydroxyphenyl)-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 619963
Dimethyl 4-(3-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 698574
Ethyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2829289
3,5-Diethyl 1,4-dihydro-4-(3-hydroxyphenyl)-2,6-dimethyl-3,5-pyridinedicarboxylate
CID 746764
2-[3-[4-(3-Hydroxyphenyl)phenyl]propanoylamino]cyclohexene-1-carboxylic acid
CID 137647495
2-[[(E)-5-(3-hydroxyphenyl)pent-2-en-4-ynoyl]amino]cyclohexene-1-carboxylic acid
CID 137654580
2-[5-(3-Hydroxyphenyl)pent-4-ynoylamino]cyclohexene-1-carboxylic acid
CID 137655320
Methyl 5-(3-hydroxyphenyl)-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 2920287
Diallyl 4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
CID 3139744
5-O-tert-butyl 3-O-methyl 4-(3-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 46913887
benzyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 118694401
Benzyl 4-(3-hydroxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2864534

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate (CID 71692313) is ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate is CCOC(=O)CC(c1cccc(O)c1)c1c(O)cc(C)[nH]c1=O.
What is the InChIKey of ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate?
The InChIKey is YKJXWYJDQVADMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-3-23-15(21)9-13(11-5-4-6-12(19)8-11)16-14(20)7-10(2)18-17(16)22/h4-8,13,19H,3,9H2,1-2H3,(H2,18,20,22).
What are the key properties of ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate?
ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate has a molecular weight of 317.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxy-6-methyl-2-oxo-1H-pyridin-3-yl)-3-(3-hydroxyphenyl)propanoate is sourced from PubChem (CID 71692313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).