diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate

C19H23NO5 — CID 758718

IUPACdiethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cccc(OC)c1
InChIInChI=1S/C19H23NO5/c1-5-24-18(21)15-11-20(3)12-16(19(22)25-6-2)17(15)13-8-7-9-14(10-13)23-4/h7-12,17H,5-6H2,1-4H3
InChIKeyIPHXZDGXSYNOST-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.62
Rot. Bonds6

About diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate

diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate (PubChem CID 758718) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
PubChem CID758718
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namediethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cccc(OC)c1
InChIInChI=1S/C19H23NO5/c1-5-24-18(21)15-11-20(3)12-16(19(22)25-6-2)17(15)13-8-7-9-14(10-13)23-4/h7-12,17H,5-6H2,1-4H3
InChIKeyIPHXZDGXSYNOST-UHFFFAOYSA-N
XLogP2.62
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-4H-quinoline-3-carboxylate
CID 122181888
dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 610953
diethyl 1-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 3792591
dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
CID 758715
diethyl 1-(2-hydroxyethyl)-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 16738818
diethyl 1-methyl-4-thiophen-2-yl-4H-pyridine-3,5-dicarboxylate
CID 758713
ethyl (4R)-6-amino-5-cyano-4-(3-methoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 914620
diethyl 4-[3-[[2-[2-[2-[3-[3,5-bis(ethoxycarbonyl)-1-(4-methoxyphenyl)-4H-pyridin-4-yl]anilino]-2-oxoethoxy]phenoxy]acetyl]amino]phenyl]-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 101440790
ethyl (4S)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691118
diethyl 4-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1256072
diethyl 4-(3-nitrophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate
CID 3995516
diethyl 4-(4-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 12574229

Frequently Asked Questions

What is the IUPAC name of diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate (CID 758718) is diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate is CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1cccc(OC)c1.
What is the InChIKey of diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate?
The InChIKey is IPHXZDGXSYNOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-5-24-18(21)15-11-20(3)12-16(19(22)25-6-2)17(15)13-8-7-9-14(10-13)23-4/h7-12,17H,5-6H2,1-4H3.
What are the key properties of diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate?
diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-(3-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 758718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).