bis(2-phenylethyl) pyridine-2,4-dicarboxylate

C23H21NO4 — CID 69102039

IUPACbis(2-phenylethyl) pyridine-2,4-dicarboxylate
SMILESO=C(OCCc1ccccc1)c1ccnc(C(=O)OCCc2ccccc2)c1
InChIInChI=1S/C23H21NO4/c25-22(27-15-12-18-7-3-1-4-8-18)20-11-14-24-21(17-20)23(26)28-16-13-19-9-5-2-6-10-19/h1-11,14,17H,12-13,15-16H2
InChIKeyWGUKPYYKOZNSGA-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.88
Rot. Bonds8

About bis(2-phenylethyl) pyridine-2,4-dicarboxylate

bis(2-phenylethyl) pyridine-2,4-dicarboxylate (PubChem CID 69102039) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is bis(2-phenylethyl) pyridine-2,4-dicarboxylate.

Molecular Properties

Compound Namebis(2-phenylethyl) pyridine-2,4-dicarboxylate
PubChem CID69102039
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namebis(2-phenylethyl) pyridine-2,4-dicarboxylate
SMILESO=C(OCCc1ccccc1)c1ccnc(C(=O)OCCc2ccccc2)c1
InChIInChI=1S/C23H21NO4/c25-22(27-15-12-18-7-3-1-4-8-18)20-11-14-24-21(17-20)23(26)28-16-13-19-9-5-2-6-10-19/h1-11,14,17H,12-13,15-16H2
InChIKeyWGUKPYYKOZNSGA-UHFFFAOYSA-N
XLogP3.88
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2-phenylethyl) pyridine-2,4-dicarboxylate;dipropan-2-yl pyridine-2,4-dicarboxylate;2-ethoxycarbonylpyridine-4-carboxylic acid;4-ethoxycarbonylpyridine-2-carboxylic acid;2-propan-2-yloxycarbonylpyridine-4-carboxylic acid
CID 158617710
3-phenylpropyl 4-chloropyridine-2-carboxylate
CID 60656407
2-phenylethyl 6,7-dihydroxyisoquinoline-3-carboxylate
CID 135493881
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
2-phenylethyl 3-(methylsulfinylmethyl)benzoate
CID 134003713
2-phenylethyl 4-hydroxybenzoate
CID 11977778
bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate
CID 86807799
2-phenylethyl 3-(dimethylamino)benzoate
CID 68590788
[3-(2-phenylethoxycarbonyl)phenyl] 3-(2-phenoxyethoxy)benzoate
CID 17162297
2-phenylethyl 6,7-dihydroxyquinoxaline-2-carboxylate
CID 163955850
2-phenylethyl 3-[4-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17162299
2-phenylethyl 2-amino-1,3-thiazole-5-carboxylate
CID 170550057

Frequently Asked Questions

What is the IUPAC name of bis(2-phenylethyl) pyridine-2,4-dicarboxylate?
The IUPAC name of bis(2-phenylethyl) pyridine-2,4-dicarboxylate (CID 69102039) is bis(2-phenylethyl) pyridine-2,4-dicarboxylate.
What is the SMILES notation for bis(2-phenylethyl) pyridine-2,4-dicarboxylate?
The canonical SMILES for bis(2-phenylethyl) pyridine-2,4-dicarboxylate is O=C(OCCc1ccccc1)c1ccnc(C(=O)OCCc2ccccc2)c1.
What is the InChIKey of bis(2-phenylethyl) pyridine-2,4-dicarboxylate?
The InChIKey is WGUKPYYKOZNSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-22(27-15-12-18-7-3-1-4-8-18)20-11-14-24-21(17-20)23(26)28-16-13-19-9-5-2-6-10-19/h1-11,14,17H,12-13,15-16H2.
What are the key properties of bis(2-phenylethyl) pyridine-2,4-dicarboxylate?
bis(2-phenylethyl) pyridine-2,4-dicarboxylate has a molecular weight of 375.42 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenylethyl) pyridine-2,4-dicarboxylate is sourced from PubChem (CID 69102039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).