ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate

C32H30N2O2 — CID 25135723

IUPACethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C32H30N2O2/c1-2-36-32(35)30-28(33-26-19-11-5-12-20-26)23-29(24-15-7-3-8-16-24)34(27-21-13-6-14-22-27)31(30)25-17-9-4-10-18-25/h3-22,29,31,33H,2,23H2,1H3/t29-,31+/m0/s1
InChIKeyVIHQGHFBJQEGJJ-IGYGKHONSA-N
MW474.60 g/mol
LogP7.31
Rot. Bonds7

About ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate

ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 25135723) has the molecular formula C32H30N2O2 and a molecular weight of 474.60 g/mol. Its IUPAC name is ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID25135723
Molecular FormulaC32H30N2O2
Molecular Weight474.60 g/mol
Exact Mass474.23
IUPAC Nameethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C32H30N2O2/c1-2-36-32(35)30-28(33-26-19-11-5-12-20-26)23-29(24-15-7-3-8-16-24)34(27-21-13-6-14-22-27)31(30)25-17-9-4-10-18-25/h3-22,29,31,33H,2,23H2,1H3/t29-,31+/m0/s1
InChIKeyVIHQGHFBJQEGJJ-IGYGKHONSA-N
XLogP7.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 25135723) is ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is VIHQGHFBJQEGJJ-IGYGKHONSA-N. The full InChI is InChI=1S/C32H30N2O2/c1-2-36-32(35)30-28(33-26-19-11-5-12-20-26)23-29(24-15-7-3-8-16-24)34(27-21-13-6-14-22-27)31(30)25-17-9-4-10-18-25/h3-22,29,31,33H,2,23H2,1H3/t29-,31+/m0/s1.
What are the key properties of ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 474.60 g/mol, XLogP of 7.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 25135723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).