[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate

C23H22N2O4 — CID 7866588

IUPAC[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
SMILESCc1cc(C)c(COC(=O)c2ccccn2)c(C)c1COC(=O)c1ccccn1
InChIInChI=1S/C23H22N2O4/c1-15-12-16(2)19(14-29-23(27)21-9-5-7-11-25-21)17(3)18(15)13-28-22(26)20-8-4-6-10-24-20/h4-12H,13-14H2,1-3H3
InChIKeyCGKVIZUREYXLLW-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.12
Rot. Bonds6

About [2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate

[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate (PubChem CID 7866588) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate.

Molecular Properties

Compound Name[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
PubChem CID7866588
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
SMILESCc1cc(C)c(COC(=O)c2ccccn2)c(C)c1COC(=O)c1ccccn1
InChIInChI=1S/C23H22N2O4/c1-15-12-16(2)19(14-29-23(27)21-9-5-7-11-25-21)17(3)18(15)13-28-22(26)20-8-4-6-10-24-20/h4-12H,13-14H2,1-3H3
InChIKeyCGKVIZUREYXLLW-UHFFFAOYSA-N
XLogP4.12
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl pyridine-2-carboxylate
CID 17307
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] pyridine-2-carboxylate
CID 7776240
(7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate
CID 2552705
(4-phenylphenyl)methyl pyridine-2-carboxylate
CID 7477623
[3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate
CID 7891692
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate
CID 7678760
2-(methylamino)ethyl pyridine-2-carboxylate
CID 23103066
2-trimethoxysilylethyl pyridine-2-carboxylate
CID 68835998
(2-amino-2-pyridin-4-ylethyl) pyridine-2-carboxylate
CID 174416527
(2-chloro-4-fluorophenyl)methyl pyridine-2-carboxylate
CID 2214206
(3-acetyl-2,4,6-trimethylphenyl)methyl 5-methylpyrazine-2-carboxylate
CID 35809575
(2-amino-2-pyridin-2-ylethyl) pyridine-2-carboxylate;hydrochloride
CID 174448756

Frequently Asked Questions

What is the IUPAC name of [2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate?
The IUPAC name of [2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate (CID 7866588) is [2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate.
What is the SMILES notation for [2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate?
The canonical SMILES for [2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate is Cc1cc(C)c(COC(=O)c2ccccn2)c(C)c1COC(=O)c1ccccn1.
What is the InChIKey of [2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate?
The InChIKey is CGKVIZUREYXLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-12-16(2)19(14-29-23(27)21-9-5-7-11-25-21)17(3)18(15)13-28-22(26)20-8-4-6-10-24-20/h4-12H,13-14H2,1-3H3.
What are the key properties of [2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate?
[2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,6-trimethyl-3-(pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate is sourced from PubChem (CID 7866588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).