1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone

C15H16N2O — CID 82101225

IUPAC1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
SMILESCc1ccc(C(=O)CNCc2ccccn2)cc1
InChIInChI=1S/C15H16N2O/c1-12-5-7-13(8-6-12)15(18)11-16-10-14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3
InChIKeySTJVHQJIENPINK-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.36
Rot. Bonds5

About 1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone

1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone (PubChem CID 82101225) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
PubChem CID82101225
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
SMILESCc1ccc(C(=O)CNCc2ccccn2)cc1
InChIInChI=1S/C15H16N2O/c1-12-5-7-13(8-6-12)15(18)11-16-10-14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3
InChIKeySTJVHQJIENPINK-UHFFFAOYSA-N
XLogP2.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 94270980
1-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101747
1-(3,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101270
1-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 82101894
1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 94274466
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125
1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
CID 82101223
1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 44782427
4-(4-methylphenyl)-4-oxo-3-(pyridin-2-ylmethylamino)butanoic acid
CID 82322309
(2R,3S)-2,3-bis[(4-methylbenzoyl)oxy]-4-oxo-4-(pyridin-2-ylmethylamino)butanoic acid
CID 41301905
N-(cyanomethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 28583464
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone (CID 82101225) is 1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone is Cc1ccc(C(=O)CNCc2ccccn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
The InChIKey is STJVHQJIENPINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12-5-7-13(8-6-12)15(18)11-16-10-14-4-2-3-9-17-14/h2-9,16H,10-11H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone?
1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone has a molecular weight of 240.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(pyridin-2-ylmethylamino)ethanone is sourced from PubChem (CID 82101225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).