propyl 4-(1-pyridin-2-ylethylamino)benzoate

C17H20N2O2 — CID 43139647

IUPACpropyl 4-(1-pyridin-2-ylethylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(C)c2ccccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-12-21-17(20)14-7-9-15(10-8-14)19-13(2)16-6-4-5-11-18-16/h4-11,13,19H,3,12H2,1-2H3
InChIKeyQIUGYYQJQQKLTC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.82
Rot. Bonds6

About propyl 4-(1-pyridin-2-ylethylamino)benzoate

propyl 4-(1-pyridin-2-ylethylamino)benzoate (PubChem CID 43139647) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is propyl 4-(1-pyridin-2-ylethylamino)benzoate.

Molecular Properties

Compound Namepropyl 4-(1-pyridin-2-ylethylamino)benzoate
PubChem CID43139647
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namepropyl 4-(1-pyridin-2-ylethylamino)benzoate
SMILESCCCOC(=O)c1ccc(NC(C)c2ccccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-12-21-17(20)14-7-9-15(10-8-14)19-13(2)16-6-4-5-11-18-16/h4-11,13,19H,3,12H2,1-2H3
InChIKeyQIUGYYQJQQKLTC-UHFFFAOYSA-N
XLogP3.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-(1-pyridin-2-ylethylamino)benzoate 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

N-[4-(1-pyridin-2-ylethylamino)phenyl]propanamide
CID 43720633
ethyl 4-(1-pyridin-2-ylethylsulfamoyl)benzoate
CID 4878822
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
methyl 3-(1-pyridin-2-ylethylamino)benzoate
CID 43139302
ethyl 4-[(3-methyl-1-pyridin-2-ylbutyl)carbamoylamino]benzoate
CID 171679582
propyl 4-(dicyclopropylmethylamino)benzoate
CID 43362907
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate
CID 54814917
propyl 4-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316672
2-methoxyethyl 4-[[(8-hydroxy-2-methylquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate
CID 19233013
2-hydroxyethyl N-[(1R)-1-pyridin-2-ylethyl]carbamate
CID 81406872
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146

Frequently Asked Questions

What is the IUPAC name of propyl 4-(1-pyridin-2-ylethylamino)benzoate?
The IUPAC name of propyl 4-(1-pyridin-2-ylethylamino)benzoate (CID 43139647) is propyl 4-(1-pyridin-2-ylethylamino)benzoate.
What is the SMILES notation for propyl 4-(1-pyridin-2-ylethylamino)benzoate?
The canonical SMILES for propyl 4-(1-pyridin-2-ylethylamino)benzoate is CCCOC(=O)c1ccc(NC(C)c2ccccn2)cc1.
What is the InChIKey of propyl 4-(1-pyridin-2-ylethylamino)benzoate?
The InChIKey is QIUGYYQJQQKLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-12-21-17(20)14-7-9-15(10-8-14)19-13(2)16-6-4-5-11-18-16/h4-11,13,19H,3,12H2,1-2H3.
What are the key properties of propyl 4-(1-pyridin-2-ylethylamino)benzoate?
propyl 4-(1-pyridin-2-ylethylamino)benzoate has a molecular weight of 284.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(1-pyridin-2-ylethylamino)benzoate is sourced from PubChem (CID 43139647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).