1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone

C16H18N2O — CID 82101270

IUPAC1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
SMILESCc1ccc(C(=O)CNCc2ccccn2)cc1C
InChIInChI=1S/C16H18N2O/c1-12-6-7-14(9-13(12)2)16(19)11-17-10-15-5-3-4-8-18-15/h3-9,17H,10-11H2,1-2H3
InChIKeyXERNQEQLVRFPGD-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.67
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone

1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone (PubChem CID 82101270) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
PubChem CID82101270
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
SMILESCc1ccc(C(=O)CNCc2ccccn2)cc1C
InChIInChI=1S/C16H18N2O/c1-12-6-7-14(9-13(12)2)16(19)11-17-10-15-5-3-4-8-18-15/h3-9,17H,10-11H2,1-2H3
InChIKeyXERNQEQLVRFPGD-UHFFFAOYSA-N
XLogP2.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101225
1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 94274466
1-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101747
1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101894
1-(4-methylphenyl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 94270980
1-(3,4-dimethylphenyl)-2-(ethylamino)ethanone
CID 82101255
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
3-methyl-4-(pyridin-2-ylmethylamino)benzoate
CID 7420321
4-(3,4-dimethylphenyl)-N-(2-hydroxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)butanamide
CID 108732561

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone (CID 82101270) is 1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone is Cc1ccc(C(=O)CNCc2ccccn2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The InChIKey is XERNQEQLVRFPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-6-7-14(9-13(12)2)16(19)11-17-10-15-5-3-4-8-18-15/h3-9,17H,10-11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone has a molecular weight of 254.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone is sourced from PubChem (CID 82101270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).