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

C12H18FN3O — CID 103917149

IUPAC3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide
SMILESCC(NCC(C)(C)C(N)=O)c1ccc(F)cn1
InChIInChI=1S/C12H18FN3O/c1-8(10-5-4-9(13)6-15-10)16-7-12(2,3)11(14)17/h4-6,8,16H,7H2,1-3H3,(H2,14,17)
InChIKeyJVCJUTCBSWSECP-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.38
Rot. Bonds5

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

3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide (PubChem CID 103917149) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide
PubChem CID103917149
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide
SMILESCC(NCC(C)(C)C(N)=O)c1ccc(F)cn1
InChIInChI=1S/C12H18FN3O/c1-8(10-5-4-9(13)6-15-10)16-7-12(2,3)11(14)17/h4-6,8,16H,7H2,1-3H3,(H2,14,17)
InChIKeyJVCJUTCBSWSECP-UHFFFAOYSA-N
XLogP1.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
CID 83118832
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460664
2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate
CID 83209734
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 83119908
2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 104860557
1-(5-fluoro-2-pyridinyl)ethylurea
CID 140688353
tert-butyl N-[2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 104955582
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 103894808
3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
CID 113383872
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
3-[[(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethyl]amino]-2,2-dimethylpropanamide
CID 99853754

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide (CID 103917149) is 3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide is CC(NCC(C)(C)C(N)=O)c1ccc(F)cn1.
What is the InChIKey of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide?
The InChIKey is JVCJUTCBSWSECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-8(10-5-4-9(13)6-15-10)16-7-12(2,3)11(14)17/h4-6,8,16H,7H2,1-3H3,(H2,14,17).
What are the key properties of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide?
3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide has a molecular weight of 239.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 103917149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).