1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone

C15H16N2O — CID 113222580

IUPAC1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCCc2cccnc2)cc1
InChIInChI=1S/C15H16N2O/c1-12(18)14-4-6-15(7-5-14)17-10-8-13-3-2-9-16-11-13/h2-7,9,11,17H,8,10H2,1H3
InChIKeyHRDMGWHRSGOGFD-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.94
Rot. Bonds5

About 1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone

1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone (PubChem CID 113222580) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone
PubChem CID113222580
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCCc2cccnc2)cc1
InChIInChI=1S/C15H16N2O/c1-12(18)14-4-6-15(7-5-14)17-10-8-13-3-2-9-16-11-13/h2-7,9,11,17H,8,10H2,1H3
InChIKeyHRDMGWHRSGOGFD-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 60729005
1-[4-[2-(3-methylphenyl)ethylamino]phenyl]ethanone
CID 114468210
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
CID 55107885
tert-butyl 3-(2-pyridin-3-ylethylamino)benzoate
CID 68952622
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
CID 63265162
1-[4-[[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112860818
1-[3-methyl-5-(2-pyridin-3-ylethylamino)-1,2-thiazol-4-yl]ethanone
CID 79364082
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
2-methyl-1-[4-(pyridin-3-ylmethylamino)phenyl]propan-1-one
CID 95463721
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
N-(4-acetylphenyl)-N'-pyridin-3-yloxamide
CID 108514790

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone (CID 113222580) is 1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone is CC(=O)c1ccc(NCCc2cccnc2)cc1.
What is the InChIKey of 1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone?
The InChIKey is HRDMGWHRSGOGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-12(18)14-4-6-15(7-5-14)17-10-8-13-3-2-9-16-11-13/h2-7,9,11,17H,8,10H2,1H3.
What are the key properties of 1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone?
1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone has a molecular weight of 240.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pyridin-3-ylethylamino)phenyl]ethanone is sourced from PubChem (CID 113222580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).