1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone

C16H18N2O — CID 116553891

IUPAC1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(N)c(C)c2)nc1
InChIInChI=1S/C16H18N2O/c1-3-12-4-6-14(18-10-12)9-16(19)13-5-7-15(17)11(2)8-13/h4-8,10H,3,9,17H2,1-2H3
InChIKeySCVZFPTVTWOXEO-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone

1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone (PubChem CID 116553891) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
PubChem CID116553891
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
SMILESCCc1ccc(CC(=O)c2ccc(N)c(C)c2)nc1
InChIInChI=1S/C16H18N2O/c1-3-12-4-6-14(18-10-12)9-16(19)13-5-7-15(17)11(2)8-13/h4-8,10H,3,9,17H2,1-2H3
InChIKeySCVZFPTVTWOXEO-UHFFFAOYSA-N
XLogP2.96
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 79746330
1-(4-ethoxyphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786182
2-(5-ethyl-2-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 81273317
2-(5-ethyl-2-pyridinyl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106848103
2-(5-ethyl-2-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 115786328
2-(5-ethyl-2-pyridinyl)-1-(4-methyl-2-pyridinyl)ethanone
CID 79746269
1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 81471898
1-(4-amino-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 116553942
1-(3-chloro-4-methylthiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 103407809
1-(3-amino-4-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116552353
1-(2,5-dichlorothiophen-3-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 114022019
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone (CID 116553891) is 1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone is CCc1ccc(CC(=O)c2ccc(N)c(C)c2)nc1.
What is the InChIKey of 1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone?
The InChIKey is SCVZFPTVTWOXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-3-12-4-6-14(18-10-12)9-16(19)13-5-7-15(17)11(2)8-13/h4-8,10H,3,9,17H2,1-2H3.
What are the key properties of 1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone?
1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone has a molecular weight of 254.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 116553891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).