dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate

C25H27NO4 — CID 132557463

IUPACdimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate
SMILESCOC(=O)C1=CC(c2ccccc2)N(c2cccc(C(C)(C)C)c2)C=C1C(=O)OC
InChIInChI=1S/C25H27NO4/c1-25(2,3)18-12-9-13-19(14-18)26-16-21(24(28)30-5)20(23(27)29-4)15-22(26)17-10-7-6-8-11-17/h6-16,22H,1-5H3
InChIKeyDTRBHJRJFHTFTB-UHFFFAOYSA-N
MW405.49 g/mol
LogP4.70
Rot. Bonds4

About dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate

dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate (PubChem CID 132557463) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate
PubChem CID132557463
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Namedimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate
SMILESCOC(=O)C1=CC(c2ccccc2)N(c2cccc(C(C)(C)C)c2)C=C1C(=O)OC
InChIInChI=1S/C25H27NO4/c1-25(2,3)18-12-9-13-19(14-18)26-16-21(24(28)30-5)20(23(27)29-4)15-22(26)17-10-7-6-8-11-17/h6-16,22H,1-5H3
InChIKeyDTRBHJRJFHTFTB-UHFFFAOYSA-N
XLogP4.70
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl (3Z,5E,7E)-1-benzhydryl-2H-azocine-6,7-dicarboxylate
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Mls003115460
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methyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
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methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate
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methyl 1-(2,3-dimethylphenyl)-2,5-dimethyl-4-phenyl-4H-pyridine-3-carboxylate
CID 45483886
ethyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483891
1H-1-Benzazepine-3,4-dicarboxylic acid, 1-methyl-, dimethyl ester
CID 623350
ethyl 1,4-diphenyl-2-propyl-4H-pyridine-3-carboxylate
CID 101152100
dimethyl (2E)-2-[[4-(dimethylamino)phenyl]methylidene]butanedioate
CID 11482801
Dimethyl 1,5-dimethyl-1h-1-benzoazepine-3,4-dicarboxylate
CID 12428509
Dimethyl 1,2,5-trimethyl-1-benzazepine-3,4-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate?
The IUPAC name of dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate (CID 132557463) is dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate is COC(=O)C1=CC(c2ccccc2)N(c2cccc(C(C)(C)C)c2)C=C1C(=O)OC.
What is the InChIKey of dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate?
The InChIKey is DTRBHJRJFHTFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-25(2,3)18-12-9-13-19(14-18)26-16-21(24(28)30-5)20(23(27)29-4)15-22(26)17-10-7-6-8-11-17/h6-16,22H,1-5H3.
What are the key properties of dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate?
dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate has a molecular weight of 405.49 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-(3-tert-butylphenyl)-2-phenyl-2H-pyridine-4,5-dicarboxylate is sourced from PubChem (CID 132557463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).