dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate

C25H27NO6 — CID 2172343

IUPACdimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOCCN1C=C(C(=O)OC)C(c2ccccc2OCc2ccccc2)C(C(=O)OC)=C1
InChIInChI=1S/C25H27NO6/c1-29-14-13-26-15-20(24(27)30-2)23(21(16-26)25(28)31-3)19-11-7-8-12-22(19)32-17-18-9-5-4-6-10-18/h4-12,15-16,23H,13-14,17H2,1-3H3
InChIKeyTWFKASVQQSKIQM-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.42
Rot. Bonds9

About dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate

dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate (PubChem CID 2172343) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
PubChem CID2172343
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Namedimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
SMILESCOCCN1C=C(C(=O)OC)C(c2ccccc2OCc2ccccc2)C(C(=O)OC)=C1
InChIInChI=1S/C25H27NO6/c1-29-14-13-26-15-20(24(27)30-2)23(21(16-26)25(28)31-3)19-11-7-8-12-22(19)32-17-18-9-5-4-6-10-18/h4-12,15-16,23H,13-14,17H2,1-3H3
InChIKeyTWFKASVQQSKIQM-UHFFFAOYSA-N
XLogP3.42
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 1-[2-(4-chlorophenyl)ethyl]-4-(2-ethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1305328
dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(2-butoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 4550610
dimethyl 1-butyl-4-[2-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
CID 2195084
dimethyl 1-methyl-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 758730
2-(1,3-dioxoisoindol-2-yl)ethyl 5-(ethylcarbamoyl)-2,6-dimethyl-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate
CID 19834157
methyl 2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 2888971
dimethyl 1-[(4-chlorophenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 4591437
methyl 2-[[4-[(2-methoxycarbonylphenoxy)methyl]phenyl]methoxy]benzoate
CID 14323673
dimethyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethoxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 2966059
3-phenylpropyl 2,6-dimethyl-5-(methylcarbamoyl)-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate
CID 19834154
2-methoxyethyl (4R)-2,7,7-trimethyl-5-oxo-4-(2-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 38989652
dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(2,3-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 5191705

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate (CID 2172343) is dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate is COCCN1C=C(C(=O)OC)C(c2ccccc2OCc2ccccc2)C(C(=O)OC)=C1.
What is the InChIKey of dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
The InChIKey is TWFKASVQQSKIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-29-14-13-26-15-20(24(27)30-2)23(21(16-26)25(28)31-3)19-11-7-8-12-22(19)32-17-18-9-5-4-6-10-18/h4-12,15-16,23H,13-14,17H2,1-3H3.
What are the key properties of dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate?
dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate has a molecular weight of 437.49 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(2-methoxyethyl)-4-(2-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 2172343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).