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

C15H21N3O2 — CID 20962119

IUPAC2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCC(C)C)c(=O)c1C#N
InChIInChI=1S/C15H21N3O2/c1-10(2)5-6-17-14(19)9-18-12(4)7-11(3)13(8-16)15(18)20/h7,10H,5-6,9H2,1-4H3,(H,17,19)
InChIKeyNJLPJOHPBSEDLX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.50
Rot. Bonds5

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

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide (PubChem CID 20962119) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide
PubChem CID20962119
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide
SMILESCc1cc(C)n(CC(=O)NCCC(C)C)c(=O)c1C#N
InChIInChI=1S/C15H21N3O2/c1-10(2)5-6-17-14(19)9-18-12(4)7-11(3)13(8-16)15(18)20/h7,10H,5-6,9H2,1-4H3,(H,17,19)
InChIKeyNJLPJOHPBSEDLX-UHFFFAOYSA-N
XLogP1.50
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.50
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-(3-methylbutyl)acetamide?
The IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide (CID 20962119) is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide is Cc1cc(C)n(CC(=O)NCCC(C)C)c(=O)c1C#N.
What is the InChIKey of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide?
The InChIKey is NJLPJOHPBSEDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)5-6-17-14(19)9-18-12(4)7-11(3)13(8-16)15(18)20/h7,10H,5-6,9H2,1-4H3,(H,17,19).
What are the key properties of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide?
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylbutyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.50, 5 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 20962119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).