dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate

C24H31NO7 — CID 27105448

IUPACdimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate
SMILESCCOc1ccc(C2C(C(=O)OC)=CN(C[C@H]3CCCO3)C=C2C(=O)OC)cc1OCC
InChIInChI=1S/C24H31NO7/c1-5-30-20-10-9-16(12-21(20)31-6-2)22-18(23(26)28-3)14-25(13-17-8-7-11-32-17)15-19(22)24(27)29-4/h9-10,12,14-15,17,22H,5-8,11,13H2,1-4H3/t17-/m1/s1
InChIKeyLIRRPSIJDLOQCB-QGZVFWFLSA-N
MW445.51 g/mol
LogP3.18
Rot. Bonds9

About dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate

dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate (PubChem CID 27105448) has the molecular formula C24H31NO7 and a molecular weight of 445.51 g/mol. Its IUPAC name is dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate
PubChem CID27105448
Molecular FormulaC24H31NO7
Molecular Weight445.51 g/mol
Exact Mass445.21
IUPAC Namedimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate
SMILESCCOc1ccc(C2C(C(=O)OC)=CN(C[C@H]3CCCO3)C=C2C(=O)OC)cc1OCC
InChIInChI=1S/C24H31NO7/c1-5-30-20-10-9-16(12-21(20)31-6-2)22-18(23(26)28-3)14-25(13-17-8-7-11-32-17)15-19(22)24(27)29-4/h9-10,12,14-15,17,22H,5-8,11,13H2,1-4H3/t17-/m1/s1
InChIKeyLIRRPSIJDLOQCB-QGZVFWFLSA-N
XLogP3.18
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate with MolForge

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Related Compounds

dimethyl 4-(3,4-dimethoxyphenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate
CID 2936500
dimethyl 4-(4-hydroxy-3-methoxyphenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate
CID 3149796
dimethyl 4-(4-hydroxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate
CID 1073741
dimethyl 4-(4-chlorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate
CID 1257112
dimethyl 1-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 1073389
dimethyl 4-(3-bromophenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate
CID 1282999
dimethyl 4-(4-nitrophenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate
CID 1264826
dimethyl 1-(oxolan-2-ylmethyl)-4-(3-phenoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2906276
dimethyl 1-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-3-yl-4H-pyridine-3,5-dicarboxylate
CID 1158511
oxolan-2-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 86913835
3-(3,4-diethoxyphenyl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 102603261
[2-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558583

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate (CID 27105448) is dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate is CCOc1ccc(C2C(C(=O)OC)=CN(C[C@H]3CCCO3)C=C2C(=O)OC)cc1OCC.
What is the InChIKey of dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate?
The InChIKey is LIRRPSIJDLOQCB-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H31NO7/c1-5-30-20-10-9-16(12-21(20)31-6-2)22-18(23(26)28-3)14-25(13-17-8-7-11-32-17)15-19(22)24(27)29-4/h9-10,12,14-15,17,22H,5-8,11,13H2,1-4H3/t17-/m1/s1.
What are the key properties of dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate?
dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate has a molecular weight of 445.51 g/mol, XLogP of 3.18, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(3,4-diethoxyphenyl)-1-[[(2R)-oxolan-2-yl]methyl]-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 27105448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).