N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide

C10H11FN2O — CID 169464909

IUPACN-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccnc(F)c1
InChIInChI=1S/C10H11FN2O/c1-8(14)12-5-2-3-9-4-6-13-10(11)7-9/h2-4,6-7H,5H2,1H3,(H,12,14)
InChIKeyDMYNFZCYAJLTKE-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.37
Rot. Bonds3

About N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide

N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169464909) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
PubChem CID169464909
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC NameN-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccnc(F)c1
InChIInChI=1S/C10H11FN2O/c1-8(14)12-5-2-3-9-4-6-13-10(11)7-9/h2-4,6-7H,5H2,1H3,(H,12,14)
InChIKeyDMYNFZCYAJLTKE-UHFFFAOYSA-N
XLogP1.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169465521
N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide
CID 169465102
N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464899
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
methyl 3-(2-fluoro-4-pyridinyl)prop-2-enoate
CID 169478658
methyl (E)-3-(2-fluoro-4-pyridinyl)prop-2-enoate
CID 137495309
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-[3-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169465955
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
N-[3-(5-hydroxy-2-pyridinyl)prop-2-enyl]acetamide
CID 169464931
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
CID 169465674
N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465561

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide (CID 169464909) is N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccnc(F)c1.
What is the InChIKey of N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is DMYNFZCYAJLTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-8(14)12-5-2-3-9-4-6-13-10(11)7-9/h2-4,6-7H,5H2,1H3,(H,12,14).
What are the key properties of N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide?
N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 194.21 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169464909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).