2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide

C13H20FN3O — CID 113382018

IUPAC2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1cncc(F)c1
InChIInChI=1S/C13H20FN3O/c1-4-5-16-13(18)10(3)17-9(2)11-6-12(14)8-15-7-11/h6-10,17H,4-5H2,1-3H3,(H,16,18)
InChIKeyDNNIREIWNYQRJB-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.79
Rot. Bonds6

About 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide

2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide (PubChem CID 113382018) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide
PubChem CID113382018
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NC(C)c1cncc(F)c1
InChIInChI=1S/C13H20FN3O/c1-4-5-16-13(18)10(3)17-9(2)11-6-12(14)8-15-7-11/h6-10,17H,4-5H2,1-3H3,(H,16,18)
InChIKeyDNNIREIWNYQRJB-UHFFFAOYSA-N
XLogP1.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-3-pyridinyl)methylamino]-N-propylpropanamide
CID 104953387
2-[1-(3,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226787
2-[1-(3,4-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 43226780
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
2-[1-(3-fluorophenyl)ethylamino]-N-pentylpropanamide
CID 60720096
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
N-ethyl-3-(5-fluoro-3-pyridinyl)butan-1-amine
CID 81018534
1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine
CID 115725711
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
CID 43226762
N-propyl-2-[1-(2,4,5-trimethylphenyl)ethylamino]propanamide
CID 43684764
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylpentan-2-amine
CID 115920023
1-(5-fluoro-3-pyridinyl)-2-methyl-N-propylbutan-1-amine
CID 63717242

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide?
The IUPAC name of 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide (CID 113382018) is 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide?
The canonical SMILES for 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide is CCCNC(=O)C(C)NC(C)c1cncc(F)c1.
What is the InChIKey of 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide?
The InChIKey is DNNIREIWNYQRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-4-5-16-13(18)10(3)17-9(2)11-6-12(14)8-15-7-11/h6-10,17H,4-5H2,1-3H3,(H,16,18).
What are the key properties of 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide?
2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide has a molecular weight of 253.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-3-pyridinyl)ethylamino]-N-propylpropanamide is sourced from PubChem (CID 113382018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).