dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate

C23H21NO4 — CID 170190396

IUPACdibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate
SMILESCc1cc(C)c(C(=O)OCc2ccccc2)c(C(=O)OCc2ccccc2)n1
InChIInChI=1S/C23H21NO4/c1-16-13-17(2)24-21(23(26)28-15-19-11-7-4-8-12-19)20(16)22(25)27-14-18-9-5-3-6-10-18/h3-13H,14-15H2,1-2H3
InChIKeyYVNWKRKNOZWVCX-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.41
Rot. Bonds6

About dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate

dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate (PubChem CID 170190396) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate
PubChem CID170190396
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namedibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate
SMILESCc1cc(C)c(C(=O)OCc2ccccc2)c(C(=O)OCc2ccccc2)n1
InChIInChI=1S/C23H21NO4/c1-16-13-17(2)24-21(23(26)28-15-19-11-7-4-8-12-19)20(16)22(25)27-14-18-9-5-3-6-10-18/h3-13H,14-15H2,1-2H3
InChIKeyYVNWKRKNOZWVCX-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

tetrabenzyl 6-methylpyridine-2,3,4,5-tetracarboxylate
CID 126657451
tribenzyl 2-aminopyrimidine-4,5,6-tricarboxylate
CID 167060658
benzyl 2-methylquinoline-4-carboxylate
CID 804130
1-(4,6-dimethyl-2-phenylmethoxy-3-pyridinyl)ethanone
CID 118546342
benzyl 3-iodo-6-methyl-1,2,4-triazine-5-carboxylate
CID 126639292
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
benzyl 3-methyl-6,7-bis(phenylmethoxy)quinoxaline-2-carboxylate
CID 86747625
benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 71451114
2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid
CID 10860036
dibenzyl 6-[[4,6-bis(phenylmethoxycarbonyl)-1,3,5-triazin-2-yl]diazenyl]-1,3,5-triazine-2,4-dicarboxylate
CID 134286326
benzyl 3,5-dimethylbenzoate
CID 54359872
2-O-benzyl 1-O-ethyl 3,4,5,6-tetrabromobenzene-1,2-dicarboxylate
CID 142686765

Frequently Asked Questions

What is the IUPAC name of dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate?
The IUPAC name of dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate (CID 170190396) is dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate.
What is the SMILES notation for dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate?
The canonical SMILES for dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate is Cc1cc(C)c(C(=O)OCc2ccccc2)c(C(=O)OCc2ccccc2)n1.
What is the InChIKey of dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate?
The InChIKey is YVNWKRKNOZWVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-16-13-17(2)24-21(23(26)28-15-19-11-7-4-8-12-19)20(16)22(25)27-14-18-9-5-3-6-10-18/h3-13H,14-15H2,1-2H3.
What are the key properties of dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate?
dibenzyl 4,6-dimethylpyridine-2,3-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 dibenzyl 4,6-dimethylpyridine-2,3-dicarboxylate is sourced from PubChem (CID 170190396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).