4-(6-chloro-3-pyridinyl)but-3-enamide

C9H9ClN2O — CID 170797349

IUPAC4-(6-chloro-3-pyridinyl)but-3-enamide
SMILESNC(=O)CC=Cc1ccc(Cl)nc1
InChIInChI=1S/C9H9ClN2O/c10-8-5-4-7(6-12-8)2-1-3-9(11)13/h1-2,4-6H,3H2,(H2,11,13)
InChIKeyJPGAEPACFYHRRZ-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.62
Rot. Bonds3

About 4-(6-chloro-3-pyridinyl)but-3-enamide

4-(6-chloro-3-pyridinyl)but-3-enamide (PubChem CID 170797349) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-(6-chloro-3-pyridinyl)but-3-enamide.

Molecular Properties

Compound Name4-(6-chloro-3-pyridinyl)but-3-enamide
PubChem CID170797349
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name4-(6-chloro-3-pyridinyl)but-3-enamide
SMILESNC(=O)CC=Cc1ccc(Cl)nc1
InChIInChI=1S/C9H9ClN2O/c10-8-5-4-7(6-12-8)2-1-3-9(11)13/h1-2,4-6H,3H2,(H2,11,13)
InChIKeyJPGAEPACFYHRRZ-UHFFFAOYSA-N
XLogP1.62
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.62
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

(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 55267916
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol
CID 10725825
4-(6-chloro-3-pyridinyl)but-3-en-1-amine
CID 170486456
(E)-4-pyridin-3-ylbut-3-enamide
CID 141387555
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(4-propan-2-ylphenyl)but-3-enamide
CID 170797717
5-(4-amino-4-oxobut-1-enyl)-2-chlorobenzoic acid
CID 170798138
4-(6-chloro-3-pyridinyl)but-3-ene-1-thiol
CID 170477762
4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide
CID 170797688
4-(4-hydrazinylphenyl)but-3-enamide
CID 170797562

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-pyridinyl)but-3-enamide?
The IUPAC name of 4-(6-chloro-3-pyridinyl)but-3-enamide (CID 170797349) is 4-(6-chloro-3-pyridinyl)but-3-enamide.
What is the SMILES notation for 4-(6-chloro-3-pyridinyl)but-3-enamide?
The canonical SMILES for 4-(6-chloro-3-pyridinyl)but-3-enamide is NC(=O)CC=Cc1ccc(Cl)nc1.
What is the InChIKey of 4-(6-chloro-3-pyridinyl)but-3-enamide?
The InChIKey is JPGAEPACFYHRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-8-5-4-7(6-12-8)2-1-3-9(11)13/h1-2,4-6H,3H2,(H2,11,13).
What are the key properties of 4-(6-chloro-3-pyridinyl)but-3-enamide?
4-(6-chloro-3-pyridinyl)but-3-enamide has a molecular weight of 196.64 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-pyridinyl)but-3-enamide is sourced from PubChem (CID 170797349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).