1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone

C15H16N2O — CID 116605271

IUPAC1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(N)cn2)cc1C
InChIInChI=1S/C15H16N2O/c1-10-3-4-12(7-11(10)2)8-15(18)14-6-5-13(16)9-17-14/h3-7,9H,8,16H2,1-2H3
InChIKeyGBJPORAGAIHTTR-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.71
Rot. Bonds3

About 1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone

1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone (PubChem CID 116605271) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone
PubChem CID116605271
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(N)cn2)cc1C
InChIInChI=1S/C15H16N2O/c1-10-3-4-12(7-11(10)2)8-15(18)14-6-5-13(16)9-17-14/h3-7,9H,8,16H2,1-2H3
InChIKeyGBJPORAGAIHTTR-UHFFFAOYSA-N
XLogP2.71
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone (CID 116605271) is 1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc(N)cn2)cc1C.
What is the InChIKey of 1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is GBJPORAGAIHTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-3-4-12(7-11(10)2)8-15(18)14-6-5-13(16)9-17-14/h3-7,9H,8,16H2,1-2H3.
What are the key properties of 1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone?
1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 240.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 116605271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).