1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone

C20H26N2O — CID 171061916

IUPAC1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone
SMILESCCc1cc(C)cc(CC)c1NC(C)c1cccc(C(C)=O)n1
InChIInChI=1S/C20H26N2O/c1-6-16-11-13(3)12-17(7-2)20(16)21-14(4)18-9-8-10-19(22-18)15(5)23/h8-12,14,21H,6-7H2,1-5H3
InChIKeyPYYWISAWUFIPQL-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.89
Rot. Bonds6

About 1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone

1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone (PubChem CID 171061916) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone
PubChem CID171061916
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone
SMILESCCc1cc(C)cc(CC)c1NC(C)c1cccc(C(C)=O)n1
InChIInChI=1S/C20H26N2O/c1-6-16-11-13(3)12-17(7-2)20(16)21-14(4)18-9-8-10-19(22-18)15(5)23/h8-12,14,21H,6-7H2,1-5H3
InChIKeyPYYWISAWUFIPQL-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethyl]-4,6-dimethylaniline
CID 166816636
4-tert-butyl-N-[1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethyl]aniline
CID 20614287
1-(6-acetyl-2-pyridinyl)-1-aminopropan-2-one
CID 67820848
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium(2+);dichloride
CID 173243023
N-(2,6-diethyl-4-methylphenyl)-1-[6-[N-(2,6-diethyl-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(3+);trichloride
CID 173243949
ethane;N-ethyl-6-propan-2-ylpyridine-2-carboxamide
CID 177347267
bis(6-propan-2-yl-2-pyridinyl)methanone
CID 150446878
1-(6-ethyl-2-pyridinyl)ethanone;3-fluoro-3-methylpentane;propane
CID 167486425
ethane;N-[1-(6-methyl-2-pyridinyl)ethyl]acetamide
CID 177366227
1-[6-[6-[6-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethanone
CID 86093047
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone (CID 171061916) is 1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone is CCc1cc(C)cc(CC)c1NC(C)c1cccc(C(C)=O)n1.
What is the InChIKey of 1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone?
The InChIKey is PYYWISAWUFIPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-6-16-11-13(3)12-17(7-2)20(16)21-14(4)18-9-8-10-19(22-18)15(5)23/h8-12,14,21H,6-7H2,1-5H3.
What are the key properties of 1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone?
1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone has a molecular weight of 310.44 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(2,6-diethyl-4-methylanilino)ethyl]-2-pyridinyl]ethanone is sourced from PubChem (CID 171061916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).