ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate

C23H27NO2 — CID 118691472

IUPACethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(CC)cc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H27NO2/c1-3-18-10-12-20(13-11-18)21-14-15-24(16-19-8-6-5-7-9-19)17-22(21)23(25)26-4-2/h5-13H,3-4,14-17H2,1-2H3
InChIKeyOPGPBWPSRFFQLQ-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.47
Rot. Bonds6

About ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 118691472) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID118691472
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Nameethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccc(CC)cc2)CCN(Cc2ccccc2)C1
InChIInChI=1S/C23H27NO2/c1-3-18-10-12-20(13-11-18)21-14-15-24(16-19-8-6-5-7-9-19)17-22(21)23(25)26-4-2/h5-13H,3-4,14-17H2,1-2H3
InChIKeyOPGPBWPSRFFQLQ-UHFFFAOYSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-benzyl-4-[4-(dimethylamino)phenyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691430
ethyl 1-benzyl-4-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691520
ethyl 1-benzyl-4-(3,4-dichlorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 118691446
ethyl 1-benzyl-5-(3,4-difluorophenyl)-3,6-dihydro-2H-pyridine-4-carboxylate
CID 59438150
ethyl 2-phenylcyclohexene-1-carboxylate
CID 15667923
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
diethyl 1,3-dibenzyl-2,4-dihydropyrimidine-5,6-dicarboxylate
CID 101437732
ethyl N-[1-benzyl-5-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-4-yl]carbamate
CID 71176838
ethyl 1-benzyl-5-methyl-2,3-dihydropyrrole-4-carboxylate
CID 15193205
ethyl 2-(1-benzyl-5-methyl-3,6-dihydro-2H-pyridin-4-yl)acetate
CID 10707422
3-(4-methoxyphenyl)propyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 71575027
2-(4-methylsulfonylphenyl)ethyl 1-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 71575121

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate (CID 118691472) is ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(c2ccc(CC)cc2)CCN(Cc2ccccc2)C1.
What is the InChIKey of ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is OPGPBWPSRFFQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-3-18-10-12-20(13-11-18)21-14-15-24(16-19-8-6-5-7-9-19)17-22(21)23(25)26-4-2/h5-13H,3-4,14-17H2,1-2H3.
What are the key properties of ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 349.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-4-(4-ethylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 118691472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).