2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide

C16H14FN3O2 — CID 6488608

IUPAC2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2ccc(F)cc2)ccc(C#N)c1=O
InChIInChI=1S/C16H14FN3O2/c1-19(2)15(21)10-20-14(8-5-12(9-18)16(20)22)11-3-6-13(17)7-4-11/h3-8H,10H2,1-2H3
InChIKeyDFNXWIPYRQVJOW-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.61
Rot. Bonds3

About 2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide

2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide (PubChem CID 6488608) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
PubChem CID6488608
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2ccc(F)cc2)ccc(C#N)c1=O
InChIInChI=1S/C16H14FN3O2/c1-19(2)15(21)10-20-14(8-5-12(9-18)16(20)22)11-3-6-13(17)7-4-11/h3-8H,10H2,1-2H3
InChIKeyDFNXWIPYRQVJOW-UHFFFAOYSA-N
XLogP1.61
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide (CID 6488608) is 2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(-c2ccc(F)cc2)ccc(C#N)c1=O.
What is the InChIKey of 2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The InChIKey is DFNXWIPYRQVJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-19(2)15(21)10-20-14(8-5-12(9-18)16(20)22)11-3-6-13(17)7-4-11/h3-8H,10H2,1-2H3.
What are the key properties of 2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide has a molecular weight of 299.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 6488608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).