4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one

C15H16N2O — CID 116603391

IUPAC4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
SMILESNc1cccc(CCC(=O)Cc2cccnc2)c1
InChIInChI=1S/C15H16N2O/c16-14-5-1-3-12(9-14)6-7-15(18)10-13-4-2-8-17-11-13/h1-5,8-9,11H,6-7,10,16H2
InChIKeySGCRDNJGRTWNTB-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.41
Rot. Bonds5

About 4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one

4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one (PubChem CID 116603391) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
PubChem CID116603391
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
SMILESNc1cccc(CCC(=O)Cc2cccnc2)c1
InChIInChI=1S/C15H16N2O/c16-14-5-1-3-12(9-14)6-7-15(18)10-13-4-2-8-17-11-13/h1-5,8-9,11H,6-7,10,16H2
InChIKeySGCRDNJGRTWNTB-UHFFFAOYSA-N
XLogP2.41
TPSA55.98 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 ≤ 52.41
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-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one
CID 116603437
4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 105086241
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
3-(3-aminophenyl)-1-isoquinolin-8-ylpropan-1-one
CID 103133503
1-(3-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
CID 105083823
1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
CID 103042840
5-methyl-1-pyridin-3-ylhex-5-en-2-one
CID 114473524
1-(3-aminophenyl)-5-methylheptan-3-one
CID 116603308
1-pyridin-3-yldecan-2-one
CID 62621024

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one?
The IUPAC name of 4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one (CID 116603391) is 4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one?
The canonical SMILES for 4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one is Nc1cccc(CCC(=O)Cc2cccnc2)c1.
What is the InChIKey of 4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one?
The InChIKey is SGCRDNJGRTWNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-14-5-1-3-12(9-14)6-7-15(18)10-13-4-2-8-17-11-13/h1-5,8-9,11H,6-7,10,16H2.
What are the key properties of 4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one?
4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one has a molecular weight of 240.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 116603391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).