2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone

C15H16N2O — CID 79746269

IUPAC2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2cc(C)ccn2)nc1
InChIInChI=1S/C15H16N2O/c1-3-12-4-5-13(17-10-12)9-15(18)14-8-11(2)6-7-16-14/h4-8,10H,3,9H2,1-2H3
InChIKeyDYZITNRKOAVXGK-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.77
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone

2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone (PubChem CID 79746269) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
PubChem CID79746269
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2cc(C)ccn2)nc1
InChIInChI=1S/C15H16N2O/c1-3-12-4-5-13(17-10-12)9-15(18)14-8-11(2)6-7-16-14/h4-8,10H,3,9H2,1-2H3
InChIKeyDYZITNRKOAVXGK-UHFFFAOYSA-N
XLogP2.77
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 104798902
2-(4-fluorophenyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 63840220
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273317
1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116553891
1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 63841534
2-(5-ethyl-2-pyridinyl)-1-quinolin-2-ylethanone
CID 79732159
1-(5-ethyl-2-pyridinyl)-3-(3-methylphenyl)sulfanylpropan-2-one
CID 79746277
1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 79746330
1-(cyclohexen-1-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103449933
2-(5-ethyl-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 105117770
1-(3-chloro-4-methylthiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103407809
1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 114022019

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone (CID 79746269) is 2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone is CCc1ccc(CC(=O)c2cc(C)ccn2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone?
The InChIKey is DYZITNRKOAVXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-12-4-5-13(17-10-12)9-15(18)14-8-11(2)6-7-16-14/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone?
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone has a molecular weight of 240.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 79746269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).