ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate

C14H21FN2O2 — CID 112583174

IUPACethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
SMILESCCOC(=O)CCCNC(CC)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O2/c1-3-12(13-8-7-11(15)10-17-13)16-9-5-6-14(18)19-4-2/h7-8,10,12,16H,3-6,9H2,1-2H3
InChIKeyPDQRYPGGBQKPQF-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.60
Rot. Bonds8

About ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate

ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate (PubChem CID 112583174) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate.

Molecular Properties

Compound Nameethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
PubChem CID112583174
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Nameethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
SMILESCCOC(=O)CCCNC(CC)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O2/c1-3-12(13-8-7-11(15)10-17-13)16-9-5-6-14(18)19-4-2/h7-8,10,12,16H,3-6,9H2,1-2H3
InChIKeyPDQRYPGGBQKPQF-UHFFFAOYSA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate 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

2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
ethyl 4-[1-(4-hydroxyphenyl)propylamino]butanoate
CID 64580660
methyl 4-[1-(4-fluorophenyl)propylamino]butanoate
CID 54920511
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
CID 103949133
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
N-(3-cyclohexyloxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 115938465
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate?
The IUPAC name of ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate (CID 112583174) is ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate.
What is the SMILES notation for ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate?
The canonical SMILES for ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate is CCOC(=O)CCCNC(CC)c1ccc(F)cn1.
What is the InChIKey of ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate?
The InChIKey is PDQRYPGGBQKPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-12(13-8-7-11(15)10-17-13)16-9-5-6-14(18)19-4-2/h7-8,10,12,16H,3-6,9H2,1-2H3.
What are the key properties of ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate?
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate has a molecular weight of 268.33 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate is sourced from PubChem (CID 112583174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).