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

C31H26F2N2O2 — CID 44564273

IUPACmethyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(Nc2ccccc2)CC(c2ccc(F)cc2)N(c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C31H26F2N2O2/c1-37-31(36)29-27(34-25-8-4-2-5-9-25)20-28(21-12-16-23(32)17-13-21)35(26-10-6-3-7-11-26)30(29)22-14-18-24(33)19-15-22/h2-19,28,30,34H,20H2,1H3
InChIKeyBNLHFMDPRSHOTB-UHFFFAOYSA-N
MW496.56 g/mol
LogP7.20
Rot. Bonds6

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

methyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 44564273) has the molecular formula C31H26F2N2O2 and a molecular weight of 496.56 g/mol. Its IUPAC name is methyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID44564273
Molecular FormulaC31H26F2N2O2
Molecular Weight496.56 g/mol
Exact Mass496.20
IUPAC Namemethyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(Nc2ccccc2)CC(c2ccc(F)cc2)N(c2ccccc2)C1c1ccc(F)cc1
InChIInChI=1S/C31H26F2N2O2/c1-37-31(36)29-27(34-25-8-4-2-5-9-25)20-28(21-12-16-23(32)17-13-21)35(26-10-6-3-7-11-26)30(29)22-14-18-24(33)19-15-22/h2-19,28,30,34H,20H2,1H3
InChIKeyBNLHFMDPRSHOTB-UHFFFAOYSA-N
XLogP7.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.56
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-[3-(4-phenyl-piperazin-1-yl)-propylcarbamoyl]-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CID 10554140
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
Influenza A virus-IN-1
CID 141537169
ethyl 2-(4-fluorophenyl)-5-oxo-4-[4-(trifluoromethyl)anilino]-1-[4-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxylate
CID 162643207
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 44564273) is methyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=C(Nc2ccccc2)CC(c2ccc(F)cc2)N(c2ccccc2)C1c1ccc(F)cc1.
What is the InChIKey of methyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is BNLHFMDPRSHOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2N2O2/c1-37-31(36)29-27(34-25-8-4-2-5-9-25)20-28(21-12-16-23(32)17-13-21)35(26-10-6-3-7-11-26)30(29)22-14-18-24(33)19-15-22/h2-19,28,30,34H,20H2,1H3.
What are the key properties of methyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 496.56 g/mol, XLogP of 7.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 44564273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).