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

C34H34N2O2 — CID 132584893

IUPACtert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C34H34N2O2/c1-34(2,3)38-33(37)31-29(35-27-20-12-6-13-21-27)24-30(25-16-8-4-9-17-25)36(28-22-14-7-15-23-28)32(31)26-18-10-5-11-19-26/h4-23,30,32,35H,24H2,1-3H3/t30-,32+/m1/s1
InChIKeyNYVFGIAVIORZTJ-BHYZAODMSA-N
MW502.66 g/mol
LogP8.09
Rot. Bonds6

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

tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 132584893) has the molecular formula C34H34N2O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID132584893
Molecular FormulaC34H34N2O2
Molecular Weight502.66 g/mol
Exact Mass502.26
IUPAC Nametert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C34H34N2O2/c1-34(2,3)38-33(37)31-29(35-27-20-12-6-13-21-27)24-30(25-16-8-4-9-17-25)36(28-22-14-7-15-23-28)32(31)26-18-10-5-11-19-26/h4-23,30,32,35H,24H2,1-3H3/t30-,32+/m1/s1
InChIKeyNYVFGIAVIORZTJ-BHYZAODMSA-N
XLogP8.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 58.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 132584893) is tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CC(C)(C)OC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is NYVFGIAVIORZTJ-BHYZAODMSA-N. The full InChI is InChI=1S/C34H34N2O2/c1-34(2,3)38-33(37)31-29(35-27-20-12-6-13-21-27)24-30(25-16-8-4-9-17-25)36(28-22-14-7-15-23-28)32(31)26-18-10-5-11-19-26/h4-23,30,32,35H,24H2,1-3H3/t30-,32+/m1/s1.
What are the key properties of tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 502.66 g/mol, XLogP of 8.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,6S)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 132584893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).