dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate

C22H21NO5 — CID 132557467

IUPACdimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate
SMILESCOC(=O)C1=CC(c2ccc(OC)cc2)N(c2ccccc2)C=C1C(=O)OC
InChIInChI=1S/C22H21NO5/c1-26-17-11-9-15(10-12-17)20-13-18(21(24)27-2)19(22(25)28-3)14-23(20)16-7-5-4-6-8-16/h4-14,20H,1-3H3
InChIKeyAPBUCSTVVYOGFA-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.41
Rot. Bonds5

About dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate

dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate (PubChem CID 132557467) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate
PubChem CID132557467
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Namedimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate
SMILESCOC(=O)C1=CC(c2ccc(OC)cc2)N(c2ccccc2)C=C1C(=O)OC
InChIInChI=1S/C22H21NO5/c1-26-17-11-9-15(10-12-17)20-13-18(21(24)27-2)19(22(25)28-3)14-23(20)16-7-5-4-6-8-16/h4-14,20H,1-3H3
InChIKeyAPBUCSTVVYOGFA-UHFFFAOYSA-N
XLogP3.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(4-methoxyphenyl)-2,4-diphenyl-2H-pyridine-5-carboxylate
CID 102163215
dimethyl (2R,5R)-1-(4-methoxyphenyl)-2,5-diphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 9499901
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl (2R,5S)-2-(4-methoxyphenyl)-1-(4-nitrophenyl)-5-phenyl-2,5-dihydropyrrole-3-carboxylate
CID 101242664
methyl (3R,6R)-3-(4-methoxyphenyl)-2-(4-methylphenyl)-6-phenyl-3,6-dihydrooxazine-4-carboxylate
CID 102309534
4-tert-butyl-1-(4-methoxyphenyl)-2-phenyl-2H-pyridine
CID 10245408
dimethyl 4-(4-methoxyphenyl)-1-methyl-4H-pyridine-3,5-dicarboxylate
CID 758715
4-[3-(4-methoxyphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]benzoic acid
CID 50888067
methyl (4Z)-1-cyclopentyl-4-[(4-methoxyphenyl)methylidene]-5-oxopyrrole-3-carboxylate
CID 955771
3-(4-methoxyphenyl)-5-[2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-2-phenyl-1,3-dihydropyrazol-5-yl]ethenyl]-2-phenyl-1,3-dihydropyrazole
CID 139625776
2-(4-methoxyphenyl)-1-phenylpyrrolidine-3-carboxylic acid
CID 53435681
dimethyl (6R,12S)-3,9-dibenzyl-1,7-bis(hydroxymethyl)-6,12-bis(4-methoxyphenyl)-3,9-diazatricyclo[6.4.0.02,7]dodeca-4,10-diene-5,11-dicarboxylate
CID 10876346

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate (CID 132557467) is dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate is COC(=O)C1=CC(c2ccc(OC)cc2)N(c2ccccc2)C=C1C(=O)OC.
What is the InChIKey of dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate?
The InChIKey is APBUCSTVVYOGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-26-17-11-9-15(10-12-17)20-13-18(21(24)27-2)19(22(25)28-3)14-23(20)16-7-5-4-6-8-16/h4-14,20H,1-3H3.
What are the key properties of dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate?
dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate has a molecular weight of 379.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-methoxyphenyl)-1-phenyl-2H-pyridine-4,5-dicarboxylate is sourced from PubChem (CID 132557467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).