2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide

C17H16FN3O2 — CID 5306171

IUPAC2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C17H16FN3O2/c1-10-4-5-13(18)7-15(10)20-16(22)9-21-12(3)6-11(2)14(8-19)17(21)23/h4-7H,9H2,1-3H3,(H,20,22)
InChIKeyYSGVMZJSKQODLN-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.42
Rot. Bonds3

About 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 5306171) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID5306171
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O
InChIInChI=1S/C17H16FN3O2/c1-10-4-5-13(18)7-15(10)20-16(22)9-21-12(3)6-11(2)14(8-19)17(21)23/h4-7H,9H2,1-3H3,(H,20,22)
InChIKeyYSGVMZJSKQODLN-UHFFFAOYSA-N
XLogP2.42
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide (CID 5306171) is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O.
What is the InChIKey of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is YSGVMZJSKQODLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-10-4-5-13(18)7-15(10)20-16(22)9-21-12(3)6-11(2)14(8-19)17(21)23/h4-7H,9H2,1-3H3,(H,20,22).
What are the key properties of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide?
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 313.33 g/mol, XLogP of 2.42, 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-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 5306171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).