4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide

C10H11FN2O — CID 170797592

IUPAC4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide
SMILESCc1cc(F)cnc1C=CCC(N)=O
InChIInChI=1S/C10H11FN2O/c1-7-5-8(11)6-13-9(7)3-2-4-10(12)14/h2-3,5-6H,4H2,1H3,(H2,12,14)
InChIKeyJSLMXRFCDUMWJF-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.42
Rot. Bonds3

About 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide

4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide (PubChem CID 170797592) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide.

Molecular Properties

Compound Name4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide
PubChem CID170797592
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide
SMILESCc1cc(F)cnc1C=CCC(N)=O
InChIInChI=1S/C10H11FN2O/c1-7-5-8(11)6-13-9(7)3-2-4-10(12)14/h2-3,5-6H,4H2,1H3,(H2,12,14)
InChIKeyJSLMXRFCDUMWJF-UHFFFAOYSA-N
XLogP1.42
TPSA55.98 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(5-fluoro-3-methyl-2-pyridinyl)prop-2-enoate
CID 169478775
4-(5-fluoro-2-methylphenyl)but-3-enamide
CID 170797411
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
4-(2,4,6-trimethylphenyl)but-3-enamide
CID 170797721
4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
CID 170797729
4-(2-methyl-1H-imidazol-5-yl)but-3-enamide
CID 170797295
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(4-amino-2,5-dimethylphenyl)but-3-enamide
CID 170797935
4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide
CID 170797688
4-(3-fluoro-2-formyl-6-methylphenyl)but-3-enamide
CID 170798200
4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide
CID 170797801

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide?
The IUPAC name of 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide (CID 170797592) is 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide.
What is the SMILES notation for 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide?
The canonical SMILES for 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide is Cc1cc(F)cnc1C=CCC(N)=O.
What is the InChIKey of 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide?
The InChIKey is JSLMXRFCDUMWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-7-5-8(11)6-13-9(7)3-2-4-10(12)14/h2-3,5-6H,4H2,1H3,(H2,12,14).
What are the key properties of 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide?
4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide has a molecular weight of 194.21 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-methyl-2-pyridinyl)but-3-enamide is sourced from PubChem (CID 170797592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).