bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate

C23H21NO4 — CID 7473113

IUPACbis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate
SMILESCc1ccc(COC(=O)c2cccc(C(=O)OCc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H21NO4/c1-16-6-10-18(11-7-16)14-27-22(25)20-4-3-5-21(24-20)23(26)28-15-19-12-8-17(2)9-13-19/h3-13H,14-15H2,1-2H3
InChIKeyJIGXWSCEVCLPIQ-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.41
Rot. Bonds6

About bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate

bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate (PubChem CID 7473113) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate.

Molecular Properties

Compound Namebis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate
PubChem CID7473113
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namebis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate
SMILESCc1ccc(COC(=O)c2cccc(C(=O)OCc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H21NO4/c1-16-6-10-18(11-7-16)14-27-22(25)20-4-3-5-21(24-20)23(26)28-15-19-12-8-17(2)9-13-19/h3-13H,14-15H2,1-2H3
InChIKeyJIGXWSCEVCLPIQ-UHFFFAOYSA-N
XLogP4.41
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Diethyl dipicolinate
CID 254510
Dibutyl pyridine-2,6-dicarboxylate
CID 96561
(3-Acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl 4-methylbenzoate
CID 3825655
Dimethyl pyridine-2,6-carboxylate
CID 79549
2-Oxo-2-phenylethyl quinoline-2-carboxylate
CID 1158601
2-Quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester
CID 3151561
Ethyl 3,4-dimethylquinoline-2-carboxylate;hydrochloride
CID 16196364
[2-(Dimethylamino)-2-oxo-1-phenylethyl] quinoline-2-carboxylate
CID 16279786
Methyl 6-[(4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 3243117
4-Phenylpyridine-2,6-dicarboxylic acid
CID 12843432
Methyl 6-(6-(7-Phenylheptanoyl)-pyridazin-3-yl)-picolinate
CID 24950528
Methyl quinoline-2-carboxylate
CID 421738

Frequently Asked Questions

What is the IUPAC name of bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate?
The IUPAC name of bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate (CID 7473113) is bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate.
What is the SMILES notation for bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate?
The canonical SMILES for bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate is Cc1ccc(COC(=O)c2cccc(C(=O)OCc3ccc(C)cc3)n2)cc1.
What is the InChIKey of bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate?
The InChIKey is JIGXWSCEVCLPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-16-6-10-18(11-7-16)14-27-22(25)20-4-3-5-21(24-20)23(26)28-15-19-12-8-17(2)9-13-19/h3-13H,14-15H2,1-2H3.
What are the key properties of bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate?
bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate has a molecular weight of 375.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-methylphenyl)methyl] pyridine-2,6-dicarboxylate is sourced from PubChem (CID 7473113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).