1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone

C16H18N2O — CID 83120045

IUPAC1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2ccc(C)cc2C)cn1
InChIInChI=1S/C16H18N2O/c1-11-5-8-16(12(2)9-11)18(4)14-6-7-15(13(3)19)17-10-14/h5-10H,1-4H3
InChIKeyQSSNHJWPHUXAIZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.67
Rot. Bonds3

About 1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone

1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone (PubChem CID 83120045) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone
PubChem CID83120045
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2ccc(C)cc2C)cn1
InChIInChI=1S/C16H18N2O/c1-11-5-8-16(12(2)9-11)18(4)14-6-7-15(13(3)19)17-10-14/h5-10H,1-4H3
InChIKeyQSSNHJWPHUXAIZ-UHFFFAOYSA-N
XLogP3.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(N,3,5-trimethylanilino)-2-pyridinyl]ethanone
CID 83119952
1-[5-(dimethylamino)-2-pyridinyl]ethanone
CID 45086299
6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
CID 83123110
1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone
CID 82080805
1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone
CID 83118886
5-(aminomethyl)-N-(2,4-dimethylphenyl)-N-methylpyridine-2-carboxamide
CID 63723381
5-(N,4-dimethylanilino)pyridine-2-carbothioamide
CID 115488502
6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid
CID 66449315
N-[4-[4-[N-(2,4-dimethylphenyl)-4-[4-(N-(2,4-dimethylphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-N,2,4-trimethylaniline
CID 23594446
5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
CID 63537019
N-(2,4-dimethylphenyl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107375039
1-[5-[3,3-dimethylbutan-2-yl(methyl)amino]-2-pyridinyl]ethanone
CID 83119666

Frequently Asked Questions

What is the IUPAC name of 1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone (CID 83120045) is 1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone is CC(=O)c1ccc(N(C)c2ccc(C)cc2C)cn1.
What is the InChIKey of 1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone?
The InChIKey is QSSNHJWPHUXAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-5-8-16(12(2)9-11)18(4)14-6-7-15(13(3)19)17-10-14/h5-10H,1-4H3.
What are the key properties of 1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone?
1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone is sourced from PubChem (CID 83120045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).