2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide

C16H14FN3O2 — CID 5306782

IUPAC2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1C#N
InChIInChI=1S/C16H14FN3O2/c1-10-7-11(2)20(16(22)14(10)8-18)9-15(21)19-13-5-3-12(17)4-6-13/h3-7H,9H2,1-2H3,(H,19,21)
InChIKeyRGPJWKQYJJFBJW-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.11
Rot. Bonds3

About 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide (PubChem CID 5306782) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
PubChem CID5306782
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1C#N
InChIInChI=1S/C16H14FN3O2/c1-10-7-11(2)20(16(22)14(10)8-18)9-15(21)19-13-5-3-12(17)4-6-13/h3-7H,9H2,1-2H3,(H,19,21)
InChIKeyRGPJWKQYJJFBJW-UHFFFAOYSA-N
XLogP2.11
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 53331259
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2746405
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,5-difluorophenyl)acetamide
CID 8721534
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 86207798
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 22424061
N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126417064
butyl 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 126415850
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46346575
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 126415856
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 86207797
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 46346596
N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126415451

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide (CID 5306782) is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(F)cc2)c(=O)c1C#N.
What is the InChIKey of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide?
The InChIKey is RGPJWKQYJJFBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-10-7-11(2)20(16(22)14(10)8-18)9-15(21)19-13-5-3-12(17)4-6-13/h3-7H,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide?
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide has a molecular weight of 299.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 5306782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).