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

C16H13Cl2N3O2 — CID 126415856

IUPAC2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2c(Cl)cccc2Cl)c(=O)c1C#N
InChIInChI=1S/C16H13Cl2N3O2/c1-9-6-10(2)21(16(23)11(9)7-19)8-14(22)20-15-12(17)4-3-5-13(15)18/h3-6H,8H2,1-2H3,(H,20,22)
InChIKeyIFGVIDYXAXURJB-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.28
Rot. Bonds3

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

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide (PubChem CID 126415856) has the molecular formula C16H13Cl2N3O2 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
PubChem CID126415856
Molecular FormulaC16H13Cl2N3O2
Molecular Weight350.21 g/mol
Exact Mass349.04
IUPAC Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2c(Cl)cccc2Cl)c(=O)c1C#N
InChIInChI=1S/C16H13Cl2N3O2/c1-9-6-10(2)21(16(23)11(9)7-19)8-14(22)20-15-12(17)4-3-5-13(15)18/h3-6H,8H2,1-2H3,(H,20,22)
InChIKeyIFGVIDYXAXURJB-UHFFFAOYSA-N
XLogP3.28
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.28
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-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide (CID 126415856) is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide is Cc1cc(C)n(CC(=O)Nc2c(Cl)cccc2Cl)c(=O)c1C#N.
What is the InChIKey of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is IFGVIDYXAXURJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O2/c1-9-6-10(2)21(16(23)11(9)7-19)8-14(22)20-15-12(17)4-3-5-13(15)18/h3-6H,8H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide?
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 350.21 g/mol, XLogP of 3.28, 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-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 126415856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).