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

C17H17N3O2 — CID 6488607

IUPAC2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
SMILESCc1ccc(-c2ccc(C#N)c(=O)n2CC(=O)N(C)C)cc1
InChIInChI=1S/C17H17N3O2/c1-12-4-6-13(7-5-12)15-9-8-14(10-18)17(22)20(15)11-16(21)19(2)3/h4-9H,11H2,1-3H3
InChIKeyXBMYORULOMIEHC-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.78
Rot. Bonds3

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

2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide (PubChem CID 6488607) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
PubChem CID6488607
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
SMILESCc1ccc(-c2ccc(C#N)c(=O)n2CC(=O)N(C)C)cc1
InChIInChI=1S/C17H17N3O2/c1-12-4-6-13(7-5-12)15-9-8-14(10-18)17(22)20(15)11-16(21)19(2)3/h4-9H,11H2,1-3H3
InChIKeyXBMYORULOMIEHC-UHFFFAOYSA-N
XLogP1.78
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.78
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-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide (CID 6488607) is 2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide is Cc1ccc(-c2ccc(C#N)c(=O)n2CC(=O)N(C)C)cc1.
What is the InChIKey of 2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The InChIKey is XBMYORULOMIEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-4-6-13(7-5-12)15-9-8-14(10-18)17(22)20(15)11-16(21)19(2)3/h4-9H,11H2,1-3H3.
What are the key properties of 2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
2-[3-cyano-6-(4-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide has a molecular weight of 295.34 g/mol, XLogP of 1.78, 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-methylphenyl)-2-oxo-1-pyridinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 6488607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).