ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate

C14H22N2O2 — CID 65236089

IUPACethyl 3-(propylamino)-3-pyridin-4-ylbutanoate
SMILESCCCNC(C)(CC(=O)OCC)c1ccncc1
InChIInChI=1S/C14H22N2O2/c1-4-8-16-14(3,11-13(17)18-5-2)12-6-9-15-10-7-12/h6-7,9-10,16H,4-5,8,11H2,1-3H3
InChIKeyDWJKGHFEXHPQRW-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.25
Rot. Bonds7

About ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate

ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate (PubChem CID 65236089) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate.

Molecular Properties

Compound Nameethyl 3-(propylamino)-3-pyridin-4-ylbutanoate
PubChem CID65236089
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl 3-(propylamino)-3-pyridin-4-ylbutanoate
SMILESCCCNC(C)(CC(=O)OCC)c1ccncc1
InChIInChI=1S/C14H22N2O2/c1-4-8-16-14(3,11-13(17)18-5-2)12-6-9-15-10-7-12/h6-7,9-10,16H,4-5,8,11H2,1-3H3
InChIKeyDWJKGHFEXHPQRW-UHFFFAOYSA-N
XLogP2.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate?
The IUPAC name of ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate (CID 65236089) is ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate.
What is the SMILES notation for ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate?
The canonical SMILES for ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate is CCCNC(C)(CC(=O)OCC)c1ccncc1.
What is the InChIKey of ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate?
The InChIKey is DWJKGHFEXHPQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-8-16-14(3,11-13(17)18-5-2)12-6-9-15-10-7-12/h6-7,9-10,16H,4-5,8,11H2,1-3H3.
What are the key properties of ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate?
ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate has a molecular weight of 250.34 g/mol, XLogP of 2.25, 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-4-ylbutanoate is sourced from PubChem (CID 65236089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).