2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide

C16H26FN3O2 — CID 156728380

IUPAC2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)n1cc(CCN(C)C)c(F)cc1=O
InChIInChI=1S/C16H26FN3O2/c1-11(2)8-14(16(22)18-3)20-10-12(6-7-19(4)5)13(17)9-15(20)21/h9-11,14H,6-8H2,1-5H3,(H,18,22)
InChIKeyWQLLWWOYWTWVOW-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.42
Rot. Bonds7

About 2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide

2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide (PubChem CID 156728380) has the molecular formula C16H26FN3O2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide
PubChem CID156728380
Molecular FormulaC16H26FN3O2
Molecular Weight311.40 g/mol
Exact Mass311.20
IUPAC Name2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)n1cc(CCN(C)C)c(F)cc1=O
InChIInChI=1S/C16H26FN3O2/c1-11(2)8-14(16(22)18-3)20-10-12(6-7-19(4)5)13(17)9-15(20)21/h9-11,14H,6-8H2,1-5H3,(H,18,22)
InChIKeyWQLLWWOYWTWVOW-UHFFFAOYSA-N
XLogP1.42
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide?
The IUPAC name of 2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide (CID 156728380) is 2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)n1cc(CCN(C)C)c(F)cc1=O.
What is the InChIKey of 2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide?
The InChIKey is WQLLWWOYWTWVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O2/c1-11(2)8-14(16(22)18-3)20-10-12(6-7-19(4)5)13(17)9-15(20)21/h9-11,14H,6-8H2,1-5H3,(H,18,22).
What are the key properties of 2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide?
2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide has a molecular weight of 311.40 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)ethyl]-4-fluoro-2-oxo-1-pyridinyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 156728380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).