ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate

C13H20N2O2 — CID 65235826

IUPACethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
SMILESCCCNC(CC(=O)OCC)c1cccnc1
InChIInChI=1S/C13H20N2O2/c1-3-7-15-12(9-13(16)17-4-2)11-6-5-8-14-10-11/h5-6,8,10,12,15H,3-4,7,9H2,1-2H3
InChIKeySQTMVDIUHWEHNM-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.08
Rot. Bonds7

About ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate

ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate (PubChem CID 65235826) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
PubChem CID65235826
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl 3-(propylamino)-3-pyridin-3-ylpropanoate
SMILESCCCNC(CC(=O)OCC)c1cccnc1
InChIInChI=1S/C13H20N2O2/c1-3-7-15-12(9-13(16)17-4-2)11-6-5-8-14-10-11/h5-6,8,10,12,15H,3-4,7,9H2,1-2H3
InChIKeySQTMVDIUHWEHNM-UHFFFAOYSA-N
XLogP2.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate 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

methyl 3-(propylamino)-3-pyridin-3-ylpropanoate
CID 65235647
ethyl 3-[(2-aminoacetyl)amino]-3-pyridin-3-ylpropanoate;dihydrochloride
CID 70248930
ethyl 3-pyridin-3-ylbutanoate
CID 12727116
ethyl (3S,5R)-5-(hydroxyamino)-3,5-dipyridin-3-ylpentanoate
CID 124640185
ethyl 3-pyridin-3-ylpentanoate
CID 171747994
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
ethyl 3-(4-tert-butylphenyl)-3-(propylamino)propanoate
CID 65235735
methyl 3-(propan-2-ylamino)-3-pyridin-3-ylpropanoate
CID 140629631
ethyl 3-amino-2-pyridin-3-ylpropanoate;dihydrochloride
CID 19697901
ethyl (3S)-3-pyridin-3-yl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoate
CID 146150565
N-[2-(4-methoxyphenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 61064118

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate?
The IUPAC name of ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate (CID 65235826) is ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate.
What is the SMILES notation for ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate?
The canonical SMILES for ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate is CCCNC(CC(=O)OCC)c1cccnc1.
What is the InChIKey of ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate?
The InChIKey is SQTMVDIUHWEHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-7-15-12(9-13(16)17-4-2)11-6-5-8-14-10-11/h5-6,8,10,12,15H,3-4,7,9H2,1-2H3.
What are the key properties of ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate?
ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate has a molecular weight of 236.31 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(propylamino)-3-pyridin-3-ylpropanoate is sourced from PubChem (CID 65235826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).