1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one

C16H19FN2O — CID 82898066

IUPAC1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one
SMILESCc1cc(CNCCn2ccccc2=O)cc(C)c1F
InChIInChI=1S/C16H19FN2O/c1-12-9-14(10-13(2)16(12)17)11-18-6-8-19-7-4-3-5-15(19)20/h3-5,7,9-10,18H,6,8,11H2,1-2H3
InChIKeyGRTYEGHAJZFCML-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one

1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one (PubChem CID 82898066) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one
PubChem CID82898066
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one
SMILESCc1cc(CNCCn2ccccc2=O)cc(C)c1F
InChIInChI=1S/C16H19FN2O/c1-12-9-14(10-13(2)16(12)17)11-18-6-8-19-7-4-3-5-15(19)20/h3-5,7,9-10,18H,6,8,11H2,1-2H3
InChIKeyGRTYEGHAJZFCML-UHFFFAOYSA-N
XLogP2.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one 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-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one (CID 82898066) is 1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one is Cc1cc(CNCCn2ccccc2=O)cc(C)c1F.
What is the InChIKey of 1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one?
The InChIKey is GRTYEGHAJZFCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-12-9-14(10-13(2)16(12)17)11-18-6-8-19-7-4-3-5-15(19)20/h3-5,7,9-10,18H,6,8,11H2,1-2H3.
What are the key properties of 1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one?
1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one has a molecular weight of 274.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluoro-3,5-dimethylphenyl)methylamino]ethyl]pyridin-2-one is sourced from PubChem (CID 82898066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).