ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C34H34N2O2 — CID 74392398

IUPACethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)CC(c2ccc(C)cc2)N(c2ccccc2)C1c1ccc(C)cc1
InChIInChI=1S/C34H34N2O2/c1-4-38-34(37)32-30(35-28-11-7-5-8-12-28)23-31(26-19-15-24(2)16-20-26)36(29-13-9-6-10-14-29)33(32)27-21-17-25(3)18-22-27/h5-22,31,33,35H,4,23H2,1-3H3
InChIKeyNBVXLYNBQKTYAQ-UHFFFAOYSA-N
MW502.66 g/mol
LogP7.93
Rot. Bonds7

About ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 74392398) has the molecular formula C34H34N2O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID74392398
Molecular FormulaC34H34N2O2
Molecular Weight502.66 g/mol
Exact Mass502.26
IUPAC Nameethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)CC(c2ccc(C)cc2)N(c2ccccc2)C1c1ccc(C)cc1
InChIInChI=1S/C34H34N2O2/c1-4-38-34(37)32-30(35-28-11-7-5-8-12-28)23-31(26-19-15-24(2)16-20-26)36(29-13-9-6-10-14-29)33(32)27-21-17-25(3)18-22-27/h5-22,31,33,35H,4,23H2,1-3H3
InChIKeyNBVXLYNBQKTYAQ-UHFFFAOYSA-N
XLogP7.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 74392398) is ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(Nc2ccccc2)CC(c2ccc(C)cc2)N(c2ccccc2)C1c1ccc(C)cc1.
What is the InChIKey of ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is NBVXLYNBQKTYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O2/c1-4-38-34(37)32-30(35-28-11-7-5-8-12-28)23-31(26-19-15-24(2)16-20-26)36(29-13-9-6-10-14-29)33(32)27-21-17-25(3)18-22-27/h5-22,31,33,35H,4,23H2,1-3H3.
What are the key properties of ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 502.66 g/mol, XLogP of 7.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 74392398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).