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

C34H34N2O2 — CID 25135964

IUPACethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C[C@H](N([C@@H]1C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=C(C=C4)C)NC5=CC=CC=C5
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/t31-,33+/m0/s1
InChIKeyNBVXLYNBQKTYAQ-CQTOTRCISA-N
MW502.60 g/mol
LogP8.40
Rot. Bonds8

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

ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 25135964) has the molecular formula C34H34N2O2 and a molecular weight of 502.60 g/mol. Its IUPAC name is ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID25135964
Molecular FormulaC34H34N2O2
Molecular Weight502.60 g/mol
Exact Mass502.26
IUPAC Nameethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C[C@H](N([C@@H]1C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=C(C=C4)C)NC5=CC=CC=C5
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/t31-,33+/m0/s1
InChIKeyNBVXLYNBQKTYAQ-CQTOTRCISA-N
XLogP8.40
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity780

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.60
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (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

Related Compounds

3-methyl-11-(4-methylphenyl)-4,5,10,11-tetrahydropyrano[4,3-b][1,5]benzodiazepin-1(3H)-one
CID 3373332
Methyl (2r,6s)-2,6-bis(4-chlorophenyl)-1-phenyl-4-(phenylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate
CID 25135608
ethyl (2S,6R)-4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 101562530
methyl (2S,6R)-4-(4-chloroanilino)-1-(4-chlorophenyl)-2,6-bis(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 101803137
ethyl (2S,6R)-2,6-bis(4-chlorophenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 122183199
ethyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 25135723
methyl 7-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 71043140
Ethyl 1,2,6-triphenyl-4-(phenylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate
CID 12574259
Ethyl 4-(4-methylphenyl)-2-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 16020127
methyl (2S,6R)-4-(4-bromoanilino)-1-(4-bromophenyl)-2,6-bis(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 25135721
tert-butyl (2S,6R)-4-anilino-1,2,6-triphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 25135724
methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 25136381

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 25135964) is ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCOC(=O)C1=C(C[C@H](N([C@@H]1C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=C(C=C4)C)NC5=CC=CC=C5.
What is the InChIKey of ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is NBVXLYNBQKTYAQ-CQTOTRCISA-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/t31-,33+/m0/s1.
What are the key properties of ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 502.60 g/mol, XLogP of 8.40, 8 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-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 25135964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).