4-(6-acetyl-2-pyridinyl)but-3-enamide

C11H12N2O2 — CID 170798002

IUPAC4-(6-acetyl-2-pyridinyl)but-3-enamide
SMILESCC(=O)c1cccc(C=CCC(N)=O)n1
InChIInChI=1S/C11H12N2O2/c1-8(14)10-6-2-4-9(13-10)5-3-7-11(12)15/h2-6H,7H2,1H3,(H2,12,15)
InChIKeyQTXVKUODNCZHHD-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.17
Rot. Bonds4

About 4-(6-acetyl-2-pyridinyl)but-3-enamide

4-(6-acetyl-2-pyridinyl)but-3-enamide (PubChem CID 170798002) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(6-acetyl-2-pyridinyl)but-3-enamide.

Molecular Properties

Compound Name4-(6-acetyl-2-pyridinyl)but-3-enamide
PubChem CID170798002
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(6-acetyl-2-pyridinyl)but-3-enamide
SMILESCC(=O)c1cccc(C=CCC(N)=O)n1
InChIInChI=1S/C11H12N2O2/c1-8(14)10-6-2-4-9(13-10)5-3-7-11(12)15/h2-6H,7H2,1H3,(H2,12,15)
InChIKeyQTXVKUODNCZHHD-UHFFFAOYSA-N
XLogP1.17
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-acetyl-2-pyridinyl)but-3-enamide?
The IUPAC name of 4-(6-acetyl-2-pyridinyl)but-3-enamide (CID 170798002) is 4-(6-acetyl-2-pyridinyl)but-3-enamide.
What is the SMILES notation for 4-(6-acetyl-2-pyridinyl)but-3-enamide?
The canonical SMILES for 4-(6-acetyl-2-pyridinyl)but-3-enamide is CC(=O)c1cccc(C=CCC(N)=O)n1.
What is the InChIKey of 4-(6-acetyl-2-pyridinyl)but-3-enamide?
The InChIKey is QTXVKUODNCZHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(14)10-6-2-4-9(13-10)5-3-7-11(12)15/h2-6H,7H2,1H3,(H2,12,15).
What are the key properties of 4-(6-acetyl-2-pyridinyl)but-3-enamide?
4-(6-acetyl-2-pyridinyl)but-3-enamide has a molecular weight of 204.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-acetyl-2-pyridinyl)but-3-enamide is sourced from PubChem (CID 170798002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).