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

C11H16FN3O2 — CID 112583290

IUPAC2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
SMILESCCC(NCCOC(N)=O)c1ccc(F)cn1
InChIInChI=1S/C11H16FN3O2/c1-2-9(14-5-6-17-11(13)16)10-4-3-8(12)7-15-10/h3-4,7,9,14H,2,5-6H2,1H3,(H2,13,16)
InChIKeyXOAKFVOHERHQRQ-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.36
Rot. Bonds6

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

2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate (PubChem CID 112583290) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
PubChem CID112583290
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
SMILESCCC(NCCOC(N)=O)c1ccc(F)cn1
InChIInChI=1S/C11H16FN3O2/c1-2-9(14-5-6-17-11(13)16)10-4-3-8(12)7-15-10/h3-4,7,9,14H,2,5-6H2,1H3,(H2,13,16)
InChIKeyXOAKFVOHERHQRQ-UHFFFAOYSA-N
XLogP1.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate 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)ethylamino]ethyl carbamate
CID 83209734
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
CID 112583020
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582962
tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
CID 103949133
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
1-(5-fluoro-2-pyridinyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 112583054
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate?
The IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate (CID 112583290) is 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate.
What is the SMILES notation for 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate?
The canonical SMILES for 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate is CCC(NCCOC(N)=O)c1ccc(F)cn1.
What is the InChIKey of 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate?
The InChIKey is XOAKFVOHERHQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-2-9(14-5-6-17-11(13)16)10-4-3-8(12)7-15-10/h3-4,7,9,14H,2,5-6H2,1H3,(H2,13,16).
What are the key properties of 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate?
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate has a molecular weight of 241.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate is sourced from PubChem (CID 112583290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).