ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate

C23H19F5N2O2 — CID 139205472

IUPACethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(NCCc2ccc(F)cc2)nc1C(F)(F)F
InChIInChI=1S/C23H19F5N2O2/c1-2-32-22(31)20-18(15-5-9-17(25)10-6-15)13-19(30-21(20)23(26,27)28)29-12-11-14-3-7-16(24)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,29,30)
InChIKeyWJGLVZUFLNTAQX-UHFFFAOYSA-N
MW450.41 g/mol
LogP5.88
Rot. Bonds7

About ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 139205472) has the molecular formula C23H19F5N2O2 and a molecular weight of 450.41 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID139205472
Molecular FormulaC23H19F5N2O2
Molecular Weight450.41 g/mol
Exact Mass450.14
IUPAC Nameethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)cc(NCCc2ccc(F)cc2)nc1C(F)(F)F
InChIInChI=1S/C23H19F5N2O2/c1-2-32-22(31)20-18(15-5-9-17(25)10-6-15)13-19(30-21(20)23(26,27)28)29-12-11-14-3-7-16(24)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,29,30)
InChIKeyWJGLVZUFLNTAQX-UHFFFAOYSA-N
XLogP5.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.41
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-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-[6-[2-(2,4-Difluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoic acid
CID 11717959
4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
Ethyl 5-cyano-6-(4-{[(2-phenylethyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoromethyl)nicotinate
CID 24751297
Ethyl 5-cyano-6-(4-{[(2-isopropylphenyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoromethyl)nicotinate
CID 24752128
Ethyl 5-cyano-6-(4-{[(3-fluorobenzyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoromethyl)nicotinate
CID 24752711
Ethyl 5-cyano-6-(4-{[(4-fluorobenzyl)amino]carbonyl}piperazin-1-yl)-2-(trifluoro-methyl)nicotinate
CID 53233471
Benzyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 1257338
Ethyl 2-{[(1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-3-yl)carbonyl]amino}benzoate
CID 3244970
Ethyl 6-(butylamino)-5-cyano-2-phenylnicotinate
CID 3393240
Ethyl 5-cyano-2-phenyl-6-(propylamino)nicotinate
CID 3644194
Ethyl 6-(allylamino)-5-cyano-2-phenylnicotinate
CID 3841301
Ethyl 2-[(benzylcarbamothioyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylate
CID 5135847

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate (CID 139205472) is ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)cc(NCCc2ccc(F)cc2)nc1C(F)(F)F.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is WJGLVZUFLNTAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5N2O2/c1-2-32-22(31)20-18(15-5-9-17(25)10-6-15)13-19(30-21(20)23(26,27)28)29-12-11-14-3-7-16(24)8-4-14/h3-10,13H,2,11-12H2,1H3,(H,29,30).
What are the key properties of ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 450.41 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-6-[2-(4-fluorophenyl)ethylamino]-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 139205472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).