6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one

C13H14N2O — CID 70513872

IUPAC6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(C)cc1-c1ccncc1
InChIInChI=1S/C13H14N2O/c1-3-12-11(8-9(2)13(16)15-12)10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyOFBBDKXMMMNCIT-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.31
Rot. Bonds2

About 6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one

6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 70513872) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one
PubChem CID70513872
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(C)cc1-c1ccncc1
InChIInChI=1S/C13H14N2O/c1-3-12-11(8-9(2)13(16)15-12)10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyOFBBDKXMMMNCIT-UHFFFAOYSA-N
XLogP2.31
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one (CID 70513872) is 6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one is CCc1[nH]c(=O)c(C)cc1-c1ccncc1.
What is the InChIKey of 6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is OFBBDKXMMMNCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-12-11(8-9(2)13(16)15-12)10-4-6-14-7-5-10/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of 6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one?
6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 214.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-5-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 70513872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).