(E)-4-pyridin-3-ylbut-3-enamide

C9H10N2O — CID 141387555

IUPAC(E)-4-pyridin-3-ylbut-3-enamide
SMILESNC(=O)C/C=C/c1cccnc1
InChIInChI=1S/C9H10N2O/c10-9(12)5-1-3-8-4-2-6-11-7-8/h1-4,6-7H,5H2,(H2,10,12)/b3-1+
InChIKeyTXCZKQFKORMKPJ-HNQUOIGGSA-N
MW162.19 g/mol
LogP0.97
Rot. Bonds3

About (E)-4-pyridin-3-ylbut-3-enamide

(E)-4-pyridin-3-ylbut-3-enamide (PubChem CID 141387555) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (E)-4-pyridin-3-ylbut-3-enamide.

Molecular Properties

Compound Name(E)-4-pyridin-3-ylbut-3-enamide
PubChem CID141387555
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(E)-4-pyridin-3-ylbut-3-enamide
SMILESNC(=O)C/C=C/c1cccnc1
InChIInChI=1S/C9H10N2O/c10-9(12)5-1-3-8-4-2-6-11-7-8/h1-4,6-7H,5H2,(H2,10,12)/b3-1+
InChIKeyTXCZKQFKORMKPJ-HNQUOIGGSA-N
XLogP0.97
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyridin-3-ylbut-3-enoic acid
CID 439
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847
(E)-7-pyridin-3-ylhept-6-enoic acid
CID 13417279
ethane;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465034
4-(5-formyl-3-pyridinyl)but-3-enamide
CID 170797651
4-(6-chloro-3-pyridinyl)but-3-enamide
CID 170797349
methanethiol;(E)-3-pyridin-3-ylprop-2-enamide
CID 142465005
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
4-pyridin-3-ylbut-3-enenitrile
CID 170799077
4-pyridin-2-ylbut-3-enamide
CID 170797301
sodium (E)-3-pyridin-3-ylprop-2-enoate
CID 23685130
4-(3-acetylphenyl)but-3-enamide
CID 170797804

Frequently Asked Questions

What is the IUPAC name of (E)-4-pyridin-3-ylbut-3-enamide?
The IUPAC name of (E)-4-pyridin-3-ylbut-3-enamide (CID 141387555) is (E)-4-pyridin-3-ylbut-3-enamide.
What is the SMILES notation for (E)-4-pyridin-3-ylbut-3-enamide?
The canonical SMILES for (E)-4-pyridin-3-ylbut-3-enamide is NC(=O)C/C=C/c1cccnc1.
What is the InChIKey of (E)-4-pyridin-3-ylbut-3-enamide?
The InChIKey is TXCZKQFKORMKPJ-HNQUOIGGSA-N. The full InChI is InChI=1S/C9H10N2O/c10-9(12)5-1-3-8-4-2-6-11-7-8/h1-4,6-7H,5H2,(H2,10,12)/b3-1+.
What are the key properties of (E)-4-pyridin-3-ylbut-3-enamide?
(E)-4-pyridin-3-ylbut-3-enamide has a molecular weight of 162.19 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-pyridin-3-ylbut-3-enamide is sourced from PubChem (CID 141387555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).