3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide

C11H16FN3O — CID 83129036

IUPAC3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide
SMILESCCNC(C)(CC(N)=O)c1ccc(F)cn1
InChIInChI=1S/C11H16FN3O/c1-3-15-11(2,6-10(13)16)9-5-4-8(12)7-14-9/h4-5,7,15H,3,6H2,1-2H3,(H2,13,16)
InChIKeyDMLUDBUQYJIHQI-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.92
Rot. Bonds5

About 3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide

3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide (PubChem CID 83129036) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide
PubChem CID83129036
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide
SMILESCCNC(C)(CC(N)=O)c1ccc(F)cn1
InChIInChI=1S/C11H16FN3O/c1-3-15-11(2,6-10(13)16)9-5-4-8(12)7-14-9/h4-5,7,15H,3,6H2,1-2H3,(H2,13,16)
InChIKeyDMLUDBUQYJIHQI-UHFFFAOYSA-N
XLogP0.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119735
ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
CID 83119923
ethyl 2-cyano-2-(5-fluoro-2-pyridinyl)propanoate
CID 104572268
ethyl 2-(cyclopropylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83120217
ethyl 3-(5-fluoro-2-pyridinyl)-3-hydroxy-2,2-dimethylpentanoate
CID 112586432
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 112586578
3-(ethylamino)-3-[3-(trifluoromethyl)phenyl]butanamide
CID 65234342
methyl 4-amino-3-ethyl-3-(5-fluoro-2-pyridinyl)pentanoate
CID 112586775
1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83129340
3-[(5-fluoropyrimidin-2-yl)amino]-3-methylbutanamide
CID 106097186
2-(5-fluoro-2-pyridinyl)-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 112583365

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide?
The IUPAC name of 3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide (CID 83129036) is 3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide?
The canonical SMILES for 3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide is CCNC(C)(CC(N)=O)c1ccc(F)cn1.
What is the InChIKey of 3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide?
The InChIKey is DMLUDBUQYJIHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-3-15-11(2,6-10(13)16)9-5-4-8(12)7-14-9/h4-5,7,15H,3,6H2,1-2H3,(H2,13,16).
What are the key properties of 3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide?
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide has a molecular weight of 225.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide is sourced from PubChem (CID 83129036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).