methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate

C21H21NO2 — CID 45483875

IUPACmethyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)N(c2ccccc2)C=C(C)C1c1ccccc1
InChIInChI=1S/C21H21NO2/c1-15-14-22(18-12-8-5-9-13-18)16(2)20(21(23)24-3)19(15)17-10-6-4-7-11-17/h4-14,19H,1-3H3
InChIKeyOUNUGCAHVGYIRX-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.64
Rot. Bonds3

About methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate

methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate (PubChem CID 45483875) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate
PubChem CID45483875
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Namemethyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=C(C)N(c2ccccc2)C=C(C)C1c1ccccc1
InChIInChI=1S/C21H21NO2/c1-15-14-22(18-12-8-5-9-13-18)16(2)20(21(23)24-3)19(15)17-10-6-4-7-11-17/h4-14,19H,1-3H3
InChIKeyOUNUGCAHVGYIRX-UHFFFAOYSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate (CID 45483875) is methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate is COC(=O)C1=C(C)N(c2ccccc2)C=C(C)C1c1ccccc1.
What is the InChIKey of methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate?
The InChIKey is OUNUGCAHVGYIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15-14-22(18-12-8-5-9-13-18)16(2)20(21(23)24-3)19(15)17-10-6-4-7-11-17/h4-14,19H,1-3H3.
What are the key properties of methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate?
methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dimethyl-1,4-diphenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 45483875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).