methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate

C35H36N2O2 — CID 133083432

IUPACmethyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(Nc2ccc(C)cc2)CC(c2ccc(C)cc2)N(c2ccc(C)cc2)C1c1ccc(C)cc1
InChIInChI=1S/C35H36N2O2/c1-23-6-14-27(15-7-23)32-22-31(36-29-18-10-25(3)11-19-29)33(35(38)39-5)34(28-16-8-24(2)9-17-28)37(32)30-20-12-26(4)13-21-30/h6-21,32,34,36H,22H2,1-5H3
InChIKeyXEXQUOKGOOZPEB-UHFFFAOYSA-N
MW516.69 g/mol
LogP8.15
Rot. Bonds6

About methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 133083432) has the molecular formula C35H36N2O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID133083432
Molecular FormulaC35H36N2O2
Molecular Weight516.69 g/mol
Exact Mass516.28
IUPAC Namemethyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(Nc2ccc(C)cc2)CC(c2ccc(C)cc2)N(c2ccc(C)cc2)C1c1ccc(C)cc1
InChIInChI=1S/C35H36N2O2/c1-23-6-14-27(15-7-23)32-22-31(36-29-18-10-25(3)11-19-29)33(35(38)39-5)34(28-16-8-24(2)9-17-28)37(32)30-20-12-26(4)13-21-30/h6-21,32,34,36H,22H2,1-5H3
InChIKeyXEXQUOKGOOZPEB-UHFFFAOYSA-N
XLogP8.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate with MolForge

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Related Compounds

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)-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
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
ethyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 25135964
methyl (2S,6R)-4-anilino-2,6-bis(4-methylphenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 25136381
ethyl (2S,6R)-4-(4-chloroanilino)-1-(4-chlorophenyl)-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 71482804
ethyl (2S,6R)-2,6-bis(4-chlorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 71732757

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate (CID 133083432) is methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=C(Nc2ccc(C)cc2)CC(c2ccc(C)cc2)N(c2ccc(C)cc2)C1c1ccc(C)cc1.
What is the InChIKey of methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is XEXQUOKGOOZPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O2/c1-23-6-14-27(15-7-23)32-22-31(36-29-18-10-25(3)11-19-29)33(35(38)39-5)34(28-16-8-24(2)9-17-28)37(32)30-20-12-26(4)13-21-30/h6-21,32,34,36H,22H2,1-5H3.
What are the key properties of methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 516.69 g/mol, XLogP of 8.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylanilino)-1,2,6-tris(4-methylphenyl)-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 133083432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).