methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate

C21H22N2O2 — CID 150310284

IUPACmethyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2)C=CN(CCc2ccccc2)C=C1
InChIInChI=1S/C21H22N2O2/c1-25-20(24)21(22-19-10-6-3-7-11-19)13-16-23(17-14-21)15-12-18-8-4-2-5-9-18/h2-11,13-14,16-17,22H,12,15H2,1H3
InChIKeyGLLUELIWYGTHSW-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.60
Rot. Bonds6

About methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate

methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate (PubChem CID 150310284) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate
PubChem CID150310284
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Namemethyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate
SMILESCOC(=O)C1(Nc2ccccc2)C=CN(CCc2ccccc2)C=C1
InChIInChI=1S/C21H22N2O2/c1-25-20(24)21(22-19-10-6-3-7-11-19)13-16-23(17-14-21)15-12-18-8-4-2-5-9-18/h2-11,13-14,16-17,22H,12,15H2,1H3
InChIKeyGLLUELIWYGTHSW-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-anilino-1-(2-phenylethyl)pyridine-4-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

sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
CID 173365914
methyl 1-(3-phenylpropyl)cyclopropane-1-carboxylate
CID 86231403
methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboximidate
CID 11727462
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
methyl 2-anilino-1H-pyridine-2-carboxylate
CID 151544102
methyl 1-(2-phenylethyl)azetidine-2-carboxylate
CID 4196688
methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328
methyl 1-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 165365203
dimethyl 1-(2-phenylethyl)-4-(4-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 1262591
methyl (1R,5S,6R,7S)-4-oxo-3-(2-phenylethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
CID 1085850
dimethyl (2R,5R)-1-benzyl-2,5-dimethylpyrrolidine-2,5-dicarboxylate
CID 10494793
dimethyl 1,2-bis(phenylcarbamoyl)diaziridine-3,3-dicarboxylate
CID 576688

Frequently Asked Questions

What is the IUPAC name of methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate?
The IUPAC name of methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate (CID 150310284) is methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate is COC(=O)C1(Nc2ccccc2)C=CN(CCc2ccccc2)C=C1.
What is the InChIKey of methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate?
The InChIKey is GLLUELIWYGTHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-25-20(24)21(22-19-10-6-3-7-11-19)13-16-23(17-14-21)15-12-18-8-4-2-5-9-18/h2-11,13-14,16-17,22H,12,15H2,1H3.
What are the key properties of methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate?
methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-anilino-1-(2-phenylethyl)pyridine-4-carboxylate is sourced from PubChem (CID 150310284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).