N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide

C12H13FN2O — CID 123963266

IUPACN-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide
SMILESC=Cc1nc(C)c(NC(C)=O)cc1C(=C)F
InChIInChI=1S/C12H13FN2O/c1-5-11-10(7(2)13)6-12(8(3)14-11)15-9(4)16/h5-6H,1-2H2,3-4H3,(H,15,16)
InChIKeyAJRUYDQDLGOEJC-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.93
Rot. Bonds3

About N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide

N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide (PubChem CID 123963266) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide
PubChem CID123963266
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC NameN-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide
SMILESC=Cc1nc(C)c(NC(C)=O)cc1C(=C)F
InChIInChI=1S/C12H13FN2O/c1-5-11-10(7(2)13)6-12(8(3)14-11)15-9(4)16/h5-6H,1-2H2,3-4H3,(H,15,16)
InChIKeyAJRUYDQDLGOEJC-UHFFFAOYSA-N
XLogP2.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide 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 N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide?
The IUPAC name of N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide (CID 123963266) is N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide is C=Cc1nc(C)c(NC(C)=O)cc1C(=C)F.
What is the InChIKey of N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide?
The InChIKey is AJRUYDQDLGOEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-5-11-10(7(2)13)6-12(8(3)14-11)15-9(4)16/h5-6H,1-2H2,3-4H3,(H,15,16).
What are the key properties of N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide?
N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide has a molecular weight of 220.25 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethenyl-5-(1-fluoroethenyl)-2-methyl-3-pyridinyl]acetamide is sourced from PubChem (CID 123963266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).