3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide

C13H20FN3O — CID 112583020

IUPAC3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
SMILESCCC(NCCC(=O)N(C)C)c1ccc(F)cn1
InChIInChI=1S/C13H20FN3O/c1-4-11(12-6-5-10(14)9-16-12)15-8-7-13(18)17(2)3/h5-6,9,11,15H,4,7-8H2,1-3H3
InChIKeyGFCAXZKIOQLZSD-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.74
Rot. Bonds6

About 3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide

3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide (PubChem CID 112583020) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
PubChem CID112583020
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide
SMILESCCC(NCCC(=O)N(C)C)c1ccc(F)cn1
InChIInChI=1S/C13H20FN3O/c1-4-11(12-6-5-10(14)9-16-12)15-8-7-13(18)17(2)3/h5-6,9,11,15H,4,7-8H2,1-3H3
InChIKeyGFCAXZKIOQLZSD-UHFFFAOYSA-N
XLogP1.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[1-(5-fluoro-2-pyridinyl)propylamino]butanoate
CID 112583174
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
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
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899
3-[(5-fluoro-2-pyridinyl)amino]-N,N-dimethylpropanamide
CID 61313740
1-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 115938807
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 81348231
tert-butyl N-[4-[1-(5-fluoro-2-pyridinyl)propylamino]butan-2-yl]carbamate
CID 103949133
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide (CID 112583020) is 3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide is CCC(NCCC(=O)N(C)C)c1ccc(F)cn1.
What is the InChIKey of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide?
The InChIKey is GFCAXZKIOQLZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-4-11(12-6-5-10(14)9-16-12)15-8-7-13(18)17(2)3/h5-6,9,11,15H,4,7-8H2,1-3H3.
What are the key properties of 3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide?
3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide has a molecular weight of 253.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-pyridinyl)propylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 112583020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).