3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide

C15H21N3O2 — CID 46546542

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C15H21N3O2/c1-5-18(6-2)14(19)8-7-12-10(3)13(9-16)15(20)17-11(12)4/h5-8H2,1-4H3,(H,17,20)
InChIKeyBEWSATKDWNTYBH-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.66
Rot. Bonds5

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide (PubChem CID 46546542) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide
PubChem CID46546542
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C15H21N3O2/c1-5-18(6-2)14(19)8-7-12-10(3)13(9-16)15(20)17-11(12)4/h5-8H2,1-4H3,(H,17,20)
InChIKeyBEWSATKDWNTYBH-UHFFFAOYSA-N
XLogP1.66
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide (CID 46546542) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide is CCN(CC)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide?
The InChIKey is BEWSATKDWNTYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-18(6-2)14(19)8-7-12-10(3)13(9-16)15(20)17-11(12)4/h5-8H2,1-4H3,(H,17,20).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N,N-diethylpropanamide is sourced from PubChem (CID 46546542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).