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

C12H18FN3O — CID 112582962

IUPACN-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
SMILESCCNC(=O)CNC(CC)c1ccc(F)cn1
InChIInChI=1S/C12H18FN3O/c1-3-10(16-8-12(17)14-4-2)11-6-5-9(13)7-15-11/h5-7,10,16H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyPLQDWZDCOSYPFS-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.40
Rot. Bonds6

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

N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide (PubChem CID 112582962) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
PubChem CID112582962
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
SMILESCCNC(=O)CNC(CC)c1ccc(F)cn1
InChIInChI=1S/C12H18FN3O/c1-3-10(16-8-12(17)14-4-2)11-6-5-9(13)7-15-11/h5-7,10,16H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyPLQDWZDCOSYPFS-UHFFFAOYSA-N
XLogP1.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582965
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
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]but-2-yn-1-amine
CID 115975737
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184
2-[1-(5-fluoro-2-pyridinyl)propylamino]pentanoic acid
CID 112586667
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
CID 112583235
2-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpentanoic acid
CID 112586666
ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide?
The IUPAC name of N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide (CID 112582962) is N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide?
The canonical SMILES for N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide is CCNC(=O)CNC(CC)c1ccc(F)cn1.
What is the InChIKey of N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide?
The InChIKey is PLQDWZDCOSYPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-10(16-8-12(17)14-4-2)11-6-5-9(13)7-15-11/h5-7,10,16H,3-4,8H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide?
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide has a molecular weight of 239.29 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide is sourced from PubChem (CID 112582962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).