6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate

C19H21NO4 — CID 91703257

IUPAC6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate
SMILESCC(C)COC(=O)c1cccc(C(=O)OCCc2ccccc2)n1
InChIInChI=1S/C19H21NO4/c1-14(2)13-24-19(22)17-10-6-9-16(20-17)18(21)23-12-11-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3
InChIKeyTZKVLZPGKZHHNX-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.29
Rot. Bonds7

About 6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate

6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate (PubChem CID 91703257) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Name6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate
PubChem CID91703257
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate
SMILESCC(C)COC(=O)c1cccc(C(=O)OCCc2ccccc2)n1
InChIInChI=1S/C19H21NO4/c1-14(2)13-24-19(22)17-10-6-9-16(20-17)18(21)23-12-11-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3
InChIKeyTZKVLZPGKZHHNX-UHFFFAOYSA-N
XLogP3.29
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate?
The IUPAC name of 6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate (CID 91703257) is 6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate.
What is the SMILES notation for 6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate?
The canonical SMILES for 6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate is CC(C)COC(=O)c1cccc(C(=O)OCCc2ccccc2)n1.
What is the InChIKey of 6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate?
The InChIKey is TZKVLZPGKZHHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(2)13-24-19(22)17-10-6-9-16(20-17)18(21)23-12-11-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate?
6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-(2-methylpropyl) 2-O-(2-phenylethyl) pyridine-2,6-dicarboxylate is sourced from PubChem (CID 91703257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).