ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate

C23H25NO2 — CID 102185333

IUPACethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(CC)C=C1c1ccccc1
InChIInChI=1S/C23H25NO2/c1-4-19-16-21(18-12-8-6-9-13-18)22(23(25)26-5-2)17(3)24(19)20-14-10-7-11-15-20/h6-16,19H,4-5H2,1-3H3
InChIKeyRNDOAOUXQATQBR-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.21
Rot. Bonds5

About ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate

ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate (PubChem CID 102185333) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate
PubChem CID102185333
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Nameethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(c2ccccc2)C(CC)C=C1c1ccccc1
InChIInChI=1S/C23H25NO2/c1-4-19-16-21(18-12-8-6-9-13-18)22(23(25)26-5-2)17(3)24(19)20-14-10-7-11-15-20/h6-16,19H,4-5H2,1-3H3
InChIKeyRNDOAOUXQATQBR-UHFFFAOYSA-N
XLogP5.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl (2S,6R)-4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate (CID 102185333) is ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)N(c2ccccc2)C(CC)C=C1c1ccccc1.
What is the InChIKey of ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate?
The InChIKey is RNDOAOUXQATQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-4-19-16-21(18-12-8-6-9-13-18)22(23(25)26-5-2)17(3)24(19)20-14-10-7-11-15-20/h6-16,19H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate?
ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6-methyl-1,4-diphenyl-2H-pyridine-5-carboxylate is sourced from PubChem (CID 102185333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).