4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide

C9H9ClN2O2 — CID 170797647

IUPAC4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(Cl)c[nH]c1=O
InChIInChI=1S/C9H9ClN2O2/c10-7-4-6(9(14)12-5-7)2-1-3-8(11)13/h1-2,4-5H,3H2,(H2,11,13)(H,12,14)
InChIKeyUWNMEQKOGLXFLZ-UHFFFAOYSA-N
MW212.64 g/mol
LogP0.92
Rot. Bonds3

About 4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide

4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide (PubChem CID 170797647) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide.

Molecular Properties

Compound Name4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide
PubChem CID170797647
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(Cl)c[nH]c1=O
InChIInChI=1S/C9H9ClN2O2/c10-7-4-6(9(14)12-5-7)2-1-3-8(11)13/h1-2,4-5H,3H2,(H2,11,13)(H,12,14)
InChIKeyUWNMEQKOGLXFLZ-UHFFFAOYSA-N
XLogP0.92
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-(3-hydroxyprop-1-enyl)-1H-pyridin-2-one
CID 169453100
4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582
4-(2-amino-3,5-dichlorophenyl)but-3-enamide
CID 170797950
3-(5-chloro-2-oxo-1H-pyridin-3-yl)prop-2-enal
CID 169458878
methyl 3-(5-chloro-2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169478813
4-(2-amino-4-chlorophenyl)but-3-enamide
CID 170797583
4-(2-chloro-5-hydroxyphenyl)but-3-enamide
CID 170797475
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
4-(2-chloro-3-hydroxyphenyl)but-3-enamide
CID 170797494
4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
CID 170797729
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
4-(5-amino-2-fluorophenyl)but-3-enamide
CID 170797575

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide?
The IUPAC name of 4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide (CID 170797647) is 4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide.
What is the SMILES notation for 4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide?
The canonical SMILES for 4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide is NC(=O)CC=Cc1cc(Cl)c[nH]c1=O.
What is the InChIKey of 4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide?
The InChIKey is UWNMEQKOGLXFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-7-4-6(9(14)12-5-7)2-1-3-8(11)13/h1-2,4-5H,3H2,(H2,11,13)(H,12,14).
What are the key properties of 4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide?
4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide has a molecular weight of 212.64 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-oxo-1H-pyridin-3-yl)but-3-enamide is sourced from PubChem (CID 170797647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).