3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one

C11H13N3O — CID 11694389

IUPAC3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-n2ccnc2)c(C)[nH]c1=O
InChIInChI=1S/C11H13N3O/c1-3-9-6-10(8(2)13-11(9)15)14-5-4-12-7-14/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyQHMYJDJVNYLDRB-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.43
Rot. Bonds2

About 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one

3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one (PubChem CID 11694389) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one
PubChem CID11694389
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one
SMILESCCc1cc(-n2ccnc2)c(C)[nH]c1=O
InChIInChI=1S/C11H13N3O/c1-3-9-6-10(8(2)13-11(9)15)14-5-4-12-7-14/h4-7H,3H2,1-2H3,(H,13,15)
InChIKeyQHMYJDJVNYLDRB-UHFFFAOYSA-N
XLogP1.43
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one (CID 11694389) is 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one is CCc1cc(-n2ccnc2)c(C)[nH]c1=O.
What is the InChIKey of 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one?
The InChIKey is QHMYJDJVNYLDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-9-6-10(8(2)13-11(9)15)14-5-4-12-7-14/h4-7H,3H2,1-2H3,(H,13,15).
What are the key properties of 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one?
3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 11694389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).