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

C33H32N2O2 — CID 25136381

IUPACmethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(C)cc2)N(c2ccccc2)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C33H32N2O2/c1-23-14-18-25(19-15-23)30-22-29(34-27-10-6-4-7-11-27)31(33(36)37-3)32(26-20-16-24(2)17-21-26)35(30)28-12-8-5-9-13-28/h4-21,30,32,34H,22H2,1-3H3/t30-,32+/m0/s1
InChIKeyNXHUUWUYXXHDSP-XDFJSJKPSA-N
MW488.63 g/mol
LogP7.54
Rot. Bonds6

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

methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 25136381) has the molecular formula C33H32N2O2 and a molecular weight of 488.63 g/mol. Its IUPAC name is methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID25136381
Molecular FormulaC33H32N2O2
Molecular Weight488.63 g/mol
Exact Mass488.25
IUPAC Namemethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(C)cc2)N(c2ccccc2)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C33H32N2O2/c1-23-14-18-25(19-15-23)30-22-29(34-27-10-6-4-7-11-27)31(33(36)37-3)32(26-20-16-24(2)17-21-26)35(30)28-12-8-5-9-13-28/h4-21,30,32,34H,22H2,1-3H3/t30-,32+/m0/s1
InChIKeyNXHUUWUYXXHDSP-XDFJSJKPSA-N
XLogP7.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-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 methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 25136381) is methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(C)cc2)N(c2ccccc2)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is NXHUUWUYXXHDSP-XDFJSJKPSA-N. The full InChI is InChI=1S/C33H32N2O2/c1-23-14-18-25(19-15-23)30-22-29(34-27-10-6-4-7-11-27)31(33(36)37-3)32(26-20-16-24(2)17-21-26)35(30)28-12-8-5-9-13-28/h4-21,30,32,34H,22H2,1-3H3/t30-,32+/m0/s1.
What are the key properties of methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 488.63 g/mol, XLogP of 7.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 25136381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).