methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate

C20H19NO2 — CID 132543701

IUPACmethyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccccc2)C=C(C)C1c1ccccc1
InChIInChI=1S/C20H19NO2/c1-15-13-21(17-11-7-4-8-12-17)14-18(20(22)23-2)19(15)16-9-5-3-6-10-16/h3-14,19H,1-2H3
InChIKeyPIYMVVPDFCRNNB-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.25
Rot. Bonds3

About methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate

methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate (PubChem CID 132543701) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
PubChem CID132543701
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Namemethyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN(c2ccccc2)C=C(C)C1c1ccccc1
InChIInChI=1S/C20H19NO2/c1-15-13-21(17-11-7-4-8-12-17)14-18(20(22)23-2)19(15)16-9-5-3-6-10-16/h3-14,19H,1-2H3
InChIKeyPIYMVVPDFCRNNB-UHFFFAOYSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
CID 2233361
dimethyl 1-(4-fluorophenyl)-4-(3-hydroxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1261229
dimethyl 4-(3-bromophenyl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1295301
dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1294939
methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate
CID 613667
dimethyl 1-[(4-chlorophenyl)methyl]-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 175446612
diethyl 1,4-bis(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 2171479
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627
(4R)-5-methoxycarbonyl-2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3-carboxylic acid
CID 15004146
dimethyl 1-methyl-4-(3-methylphenyl)-4H-pyridine-3,5-dicarboxylate
CID 610953
dimethyl 1-benzyl-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1295292
3-O-methyl 5-O-propan-2-yl 1-hydroxy-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 71606466

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate (CID 132543701) is methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate is COC(=O)C1=CN(c2ccccc2)C=C(C)C1c1ccccc1.
What is the InChIKey of methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate?
The InChIKey is PIYMVVPDFCRNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-15-13-21(17-11-7-4-8-12-17)14-18(20(22)23-2)19(15)16-9-5-3-6-10-16/h3-14,19H,1-2H3.
What are the key properties of methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate?
methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 132543701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).