methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate

C26H23NO3 — CID 102163215

IUPACmethyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(OC)cc2)C(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C26H23NO3/c1-29-22-15-13-21(14-16-22)27-18-24(26(28)30-2)23(19-9-5-3-6-10-19)17-25(27)20-11-7-4-8-12-20/h3-18,25H,1-2H3
InChIKeyNOFHHZMKKLNPCR-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.40
Rot. Bonds5

About methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate

methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate (PubChem CID 102163215) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate
PubChem CID102163215
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Namemethyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CN(c2ccc(OC)cc2)C(c2ccccc2)C=C1c1ccccc1
InChIInChI=1S/C26H23NO3/c1-29-22-15-13-21(14-16-22)27-18-24(26(28)30-2)23(19-9-5-3-6-10-19)17-25(27)20-11-7-4-8-12-20/h3-18,25H,1-2H3
InChIKeyNOFHHZMKKLNPCR-UHFFFAOYSA-N
XLogP5.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate
CID 132557467
dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 9499901
4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine
CID 10245408
methyl 3-(4-methoxyphenyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 18171059
methyl (2R,5S)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenyl-2,5-dihydropyrrole-3-carboxylate
CID 101242664
4-[3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]benzoic acid
CID 50888067
anisole;methyl 4-methoxybenzoate
CID 158093995
dimethyl 4-(3-bromophenyl)-1-(4-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1294939
(5Z)-5-(1-hydroxyethylidene)-1-(4-methoxyphenyl)-2-phenyl-2H-pyridin-6-one
CID 71659072
methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate
CID 134951212
methyl 4-hydroxy-1-(4-methoxyphenyl)-5-oxo-2-phenyl-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 162535622
dimethyl (2S,5S)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 7103627

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate (CID 102163215) is methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate is COC(=O)C1=CN(c2ccc(OC)cc2)C(c2ccccc2)C=C1c1ccccc1.
What is the InChIKey of methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate?
The InChIKey is NOFHHZMKKLNPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-29-22-15-13-21(14-16-22)27-18-24(26(28)30-2)23(19-9-5-3-6-10-19)17-25(27)20-11-7-4-8-12-20/h3-18,25H,1-2H3.
What are the key properties of methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate?
methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate is sourced from PubChem (CID 102163215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).