ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate

C22H23NO2 — CID 15981808

IUPACethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccccc2)C=CC1c1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-25-22(24)21-17(2)23(16-18-10-6-4-7-11-18)15-14-20(21)19-12-8-5-9-13-19/h4-15,20H,3,16H2,1-2H3
InChIKeyOYVPSJPZBMIKDM-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.64
Rot. Bonds5

About ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate

ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate (PubChem CID 15981808) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
PubChem CID15981808
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Nameethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
SMILESCCOC(=O)C1=C(C)N(Cc2ccccc2)C=CC1c1ccccc1
InChIInChI=1S/C22H23NO2/c1-3-25-22(24)21-17(2)23(16-18-10-6-4-7-11-18)15-14-20(21)19-12-8-5-9-13-19/h4-15,20H,3,16H2,1-2H3
InChIKeyOYVPSJPZBMIKDM-UHFFFAOYSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diethyl 1-benzyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10620479
Dimethyl 1-benzyl-4-(2,5-difluorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 1336676
(3R,4R)-1-Benzyl-3-phenyl-piperidine-4-carboxylic acid ethyl ester
CID 16682153
Diethyl 2-methyl-4,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10810475
diethyl 1-benzoyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 12777191
methyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate
CID 71508561
ethyl 1-[(4-methylphenyl)methyl]-4-phenyl-4H-pyridine-3-carboxylate
CID 71508596
Ethyl 4,6-diphenyl-2-propyl-1,4-dihydropyridine-3-carboxylate
CID 90656509
diethyl 1-benzyl-2,6-dimethyl-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 1015745
ethyl 1-(4-fluorophenyl)-2-methyl-4-phenyl-4H-pyridine-3-carboxylate
CID 11439125
ethyl 2-methyl-1-(4-methylphenyl)-4-phenyl-4H-pyridine-3-carboxylate
CID 45483899
Ethyl 2-acetyl-3-phenyl-1,2-dihydro-4-isoquinolinecarboxylate
CID 372864

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate (CID 15981808) is ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate is CCOC(=O)C1=C(C)N(Cc2ccccc2)C=CC1c1ccccc1.
What is the InChIKey of ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
The InChIKey is OYVPSJPZBMIKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-3-25-22(24)21-17(2)23(16-18-10-6-4-7-11-18)15-14-20(21)19-12-8-5-9-13-19/h4-15,20H,3,16H2,1-2H3.
What are the key properties of ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate?
ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-2-methyl-4-phenyl-4H-pyridine-3-carboxylate is sourced from PubChem (CID 15981808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).