dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate

C23H21NO5 — CID 19232495

IUPACdimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H21NO5/c1-14-19(22(25)27-3)21(20(15(2)24-14)23(26)28-4)16-9-8-12-18(13-16)29-17-10-6-5-7-11-17/h5-13H,1-4H3
InChIKeyDFCUUOXQLBKCMS-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.73
Rot. Bonds5

About dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate (PubChem CID 19232495) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate
PubChem CID19232495
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Namedimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C23H21NO5/c1-14-19(22(25)27-3)21(20(15(2)24-14)23(26)28-4)16-9-8-12-18(13-16)29-17-10-6-5-7-11-17/h5-13H,1-4H3
InChIKeyDFCUUOXQLBKCMS-UHFFFAOYSA-N
XLogP4.73
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232497
methyl 2-(3-phenoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902843
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
5-O-methyl 3-O-(3-methyl-4-phenylbutyl) 2,6-dimethyl-4-(3-methylphenyl)pyridine-3,5-dicarboxylate
CID 176873539
dimethyl 6-methyl-4-phenylthieno[2,3-b]pyridine-2,5-dicarboxylate
CID 139216527
5-O-methyl 3-O-[2-[3-(trifluoromethyl)phenoxy]ethyl] 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
CID 13219230
methyl 6-(hydroxymethyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 71762856
methyl 2,3,6-trimethyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
CID 54096227
dimethyl 4-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232537
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
3-O-(2-methoxyethyl) 5-O-(3-phenylpropyl) 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
CID 139592469
2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol
CID 158238008

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate (CID 19232495) is dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc(Oc2ccccc2)c1.
What is the InChIKey of dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate?
The InChIKey is DFCUUOXQLBKCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-14-19(22(25)27-3)21(20(15(2)24-14)23(26)28-4)16-9-8-12-18(13-16)29-17-10-6-5-7-11-17/h5-13H,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate has a molecular weight of 391.42 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-(3-phenoxyphenyl)pyridine-3,5-dicarboxylate is sourced from PubChem (CID 19232495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).