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

C16H22N2O2 — CID 118790729

IUPAC6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CC=C(C)CC2)c(=O)n1C
InChIInChI=1S/C16H22N2O2/c1-5-14-12(3)10-13(15(19)17(14)4)16(20)18-8-6-11(2)7-9-18/h6,10H,5,7-9H2,1-4H3
InChIKeyIULBPHDOECXLQM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds2

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

6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one (PubChem CID 118790729) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one
PubChem CID118790729
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2CC=C(C)CC2)c(=O)n1C
InChIInChI=1S/C16H22N2O2/c1-5-14-12(3)10-13(15(19)17(14)4)16(20)18-8-6-11(2)7-9-18/h6,10H,5,7-9H2,1-4H3
InChIKeyIULBPHDOECXLQM-UHFFFAOYSA-N
XLogP2.05
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one?
The IUPAC name of 6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one (CID 118790729) is 6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one is CCc1c(C)cc(C(=O)N2CC=C(C)CC2)c(=O)n1C.
What is the InChIKey of 6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one?
The InChIKey is IULBPHDOECXLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-14-12(3)10-13(15(19)17(14)4)16(20)18-8-6-11(2)7-9-18/h6,10H,5,7-9H2,1-4H3.
What are the key properties of 6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one?
6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,5-dimethyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 118790729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).