1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane

C22H38N2O — CID 161306224

IUPAC1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane
SMILESCC.CC.CC.CC.CC(=O)Cc1nc(-c2ccccc2)ccc1N
InChIInChI=1S/C14H14N2O.4C2H6/c1-10(17)9-14-12(15)7-8-13(16-14)11-5-3-2-4-6-11;4*1-2/h2-8H,9,15H2,1H3;4*1-2H3
InChIKeyVIGXVIXVNAPAPM-UHFFFAOYSA-N
MW346.56 g/mol
LogP6.57
Rot. Bonds3

About 1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane

1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane (PubChem CID 161306224) has the molecular formula C22H38N2O and a molecular weight of 346.56 g/mol. Its IUPAC name is 1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane.

Molecular Properties

Compound Name1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane
PubChem CID161306224
Molecular FormulaC22H38N2O
Molecular Weight346.56 g/mol
Exact Mass346.30
IUPAC Name1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane
SMILESCC.CC.CC.CC.CC(=O)Cc1nc(-c2ccccc2)ccc1N
InChIInChI=1S/C14H14N2O.4C2H6/c1-10(17)9-14-12(15)7-8-13(16-14)11-5-3-2-4-6-11;4*1-2/h2-8H,9,15H2,1H3;4*1-2H3
InChIKeyVIGXVIXVNAPAPM-UHFFFAOYSA-N
XLogP6.57
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane?
The IUPAC name of 1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane (CID 161306224) is 1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane.
What is the SMILES notation for 1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane?
The canonical SMILES for 1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane is CC.CC.CC.CC.CC(=O)Cc1nc(-c2ccccc2)ccc1N.
What is the InChIKey of 1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane?
The InChIKey is VIGXVIXVNAPAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.4C2H6/c1-10(17)9-14-12(15)7-8-13(16-14)11-5-3-2-4-6-11;4*1-2/h2-8H,9,15H2,1H3;4*1-2H3.
What are the key properties of 1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane?
1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane has a molecular weight of 346.56 g/mol, XLogP of 6.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-6-phenyl-2-pyridinyl)propan-2-one;ethane is sourced from PubChem (CID 161306224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).