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

C17H17N3O2 — CID 6462239

IUPACN-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C17H17N3O2/c1-12-8-13(2)20(17(22)15(12)9-18)11-16(21)19-10-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3,(H,19,21)
InChIKeyOJRQGBSWHIGZHR-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.65
Rot. Bonds4

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

N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 6462239) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
PubChem CID6462239
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)c1C#N
InChIInChI=1S/C17H17N3O2/c1-12-8-13(2)20(17(22)15(12)9-18)11-16(21)19-10-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3,(H,19,21)
InChIKeyOJRQGBSWHIGZHR-UHFFFAOYSA-N
XLogP1.65
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide (CID 6462239) is N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide is Cc1cc(C)n(CC(=O)NCc2ccccc2)c(=O)c1C#N.
What is the InChIKey of N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is OJRQGBSWHIGZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-8-13(2)20(17(22)15(12)9-18)11-16(21)19-10-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide?
N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 295.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 6462239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).