ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate

C23H21NO6 — CID 142416598

IUPACethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)cn(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C23H21NO6/c1-3-30-23(28)19-12-16(21(26)18-6-4-5-7-20(18)25)14-24(22(19)27)13-15-8-10-17(29-2)11-9-15/h4-12,14,25H,3,13H2,1-2H3
InChIKeyAMZKRLQZRDBDDQ-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.02
Rot. Bonds7

About ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate

ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate (PubChem CID 142416598) has the molecular formula C23H21NO6 and a molecular weight of 407.42 g/mol. Its IUPAC name is ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate
PubChem CID142416598
Molecular FormulaC23H21NO6
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Nameethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2O)cn(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C23H21NO6/c1-3-30-23(28)19-12-16(21(26)18-6-4-5-7-20(18)25)14-24(22(19)27)13-15-8-10-17(29-2)11-9-15/h4-12,14,25H,3,13H2,1-2H3
InChIKeyAMZKRLQZRDBDDQ-UHFFFAOYSA-N
XLogP3.02
TPSA94.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate
CID 56648068
ethyl 3-benzoyl-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 66668814
5-(2-hydroxy-5-methylbenzoyl)-N,1-bis[2-(4-methoxyphenyl)ethyl]-2-oxopyridine-3-carboxamide
CID 2369153
ethyl 1-[(4-methoxyphenyl)methyl]-4-methyl-5-methylsulfanylpyrrole-3-carboxylate
CID 151363085
ethyl 5-(2-hydroxybenzoyl)-2-(3-methoxyanilino)pyridine-3-carboxylate
CID 142747669
ethyl 1-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)imidazole-4-carboxylate
CID 162684166
(Z)-4-[1,5-bis[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]-4-hydroxy-2-oxobut-3-enoic acid
CID 70696543
ethyl 5-(2-bromoacetyl)-2-ethyl-1-[(4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 87907995
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
diethyl 2-[6-chloro-4-[(4-methoxyphenyl)methyl]-3-oxopyrazin-2-yl]propanedioate
CID 102289828
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 2-[[2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate
CID 43996459

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate (CID 142416598) is ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate is CCOC(=O)c1cc(C(=O)c2ccccc2O)cn(Cc2ccc(OC)cc2)c1=O.
What is the InChIKey of ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate?
The InChIKey is AMZKRLQZRDBDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6/c1-3-30-23(28)19-12-16(21(26)18-6-4-5-7-20(18)25)14-24(22(19)27)13-15-8-10-17(29-2)11-9-15/h4-12,14,25H,3,13H2,1-2H3.
What are the key properties of ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate?
ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate has a molecular weight of 407.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxybenzoyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 142416598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).