5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one

C15H18N2O — CID 70517360

IUPAC5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(C)cc1-c1cc(C)nc(C)c1
InChIInChI=1S/C15H18N2O/c1-5-14-13(6-9(2)15(18)17-14)12-7-10(3)16-11(4)8-12/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyRUNANHCGNXQKJL-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.92
Rot. Bonds2

About 5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one

5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one (PubChem CID 70517360) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one
PubChem CID70517360
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(C)cc1-c1cc(C)nc(C)c1
InChIInChI=1S/C15H18N2O/c1-5-14-13(6-9(2)15(18)17-14)12-7-10(3)16-11(4)8-12/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyRUNANHCGNXQKJL-UHFFFAOYSA-N
XLogP2.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one (CID 70517360) is 5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one is CCc1[nH]c(=O)c(C)cc1-c1cc(C)nc(C)c1.
What is the InChIKey of 5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one?
The InChIKey is RUNANHCGNXQKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-5-14-13(6-9(2)15(18)17-14)12-7-10(3)16-11(4)8-12/h6-8H,5H2,1-4H3,(H,17,18).
What are the key properties of 5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one?
5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethyl-4-pyridinyl)-6-ethyl-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 70517360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).