ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate

C26H23NO2 — CID 91171110

IUPACethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C26H23NO2/c1-2-29-26(28)24-22(19-12-6-3-7-13-19)18-23(20-14-8-4-9-15-20)27-25(24)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3
InChIKeyMIWKVMPYAKWURZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.64
Rot. Bonds5

About ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate

ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate (PubChem CID 91171110) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate
PubChem CID91171110
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Nameethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C26H23NO2/c1-2-29-26(28)24-22(19-12-6-3-7-13-19)18-23(20-14-8-4-9-15-20)27-25(24)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3
InChIKeyMIWKVMPYAKWURZ-UHFFFAOYSA-N
XLogP5.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2'-phenylspiro[cyclohexane-1,5'-naphtho[1,2-d][1,3]oxazin]-4'(6'H)-one
CID 555472
5-ethyl-5-methyl-2-phenyl-5,6-dihydro-4H-naphtho[1,2-d][1,3]oxazin-4-one
CID 3792807
5,5-dimethyl-2-phenyl-5,6-dihydro-4H-naphtho[1,2-d][1,3]oxazin-4-one
CID 740868
5,5-diethyl-2-phenyl-5,6-dihydro-4H-naphtho[1,2-d][1,3]oxazin-4-one
CID 1343621
ethyl 2-oxo-4,6-diphenyl-1H-pyrimidine-5-carboxylate
CID 13764938
5-O-benzyl 3-O-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-3,4-dihydropyridine-3,5-dicarboxylate
CID 53851416
Methyl 3-((diphenylmethylene)amino)-3,3-diphenylpropanoate
CID 164888086
Diethyl 6-benzyl-4-(4-fluorophenyl)-2-propan-2-yl-3,4-dihydropyridine-3,5-dicarboxylate
CID 53789551
Ethyl 6-(4-fluorophenyl)-2-methyl-4-propan-2-yl-3,4-dihydropyridine-5-carboxylate
CID 54042851
Diethyl 2-methyl-6-phenyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarboxylate
CID 54200341
5-O-methyl 3-O-propan-2-yl 2-methyl-6-phenyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3,5-dicarboxylate
CID 54204221
Ethyl 4-(4-fluorophenyl)-2-methyl-6-propan-2-yl-3,4-dihydropyridine-5-carboxylate
CID 54253706

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate (CID 91171110) is ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(c2ccccc2)N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate?
The InChIKey is MIWKVMPYAKWURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO2/c1-2-29-26(28)24-22(19-12-6-3-7-13-19)18-23(20-14-8-4-9-15-20)27-25(24)21-16-10-5-11-17-21/h3-17,22H,2,18H2,1H3.
What are the key properties of ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate?
ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4,6-triphenyl-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 91171110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).