N-(5-chloro-2-pyridinyl)-3-oxobutanamide

C9H9ClN2O2 — CID 811631

IUPACN-(5-chloro-2-pyridinyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H9ClN2O2/c1-6(13)4-9(14)12-8-3-2-7(10)5-11-8/h2-3,5H,4H2,1H3,(H,11,12,14)
InChIKeyUEZASIMGDHJPTD-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.65
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-3-oxobutanamide

N-(5-chloro-2-pyridinyl)-3-oxobutanamide (PubChem CID 811631) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-oxobutanamide
PubChem CID811631
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC NameN-(5-chloro-2-pyridinyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H9ClN2O2/c1-6(13)4-9(14)12-8-3-2-7(10)5-11-8/h2-3,5H,4H2,1H3,(H,11,12,14)
InChIKeyUEZASIMGDHJPTD-UHFFFAOYSA-N
XLogP1.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-Acetamidopyridine
CID 72929
N-(4-Chlorophenyl)-N'-(2-pyridinyl)urea
CID 769416
N-(pyridin-2-yl)prop-2-enamide
CID 9920419
3-oxo-N-2-pyridylbutyramide
CID 74260
2-Acetamido-5-chloropyridine
CID 798653
2-(Pivaloylamino)pyridine
CID 1051519
N-(5-chloropyridin-2-yl)-2-methylpentanamide
CID 2889757
N,N'-Di-pyridin-2-yl-malonamide
CID 565132
N-(5-chloropyridin-2-yl)cyclopropanecarboxamide
CID 686089
2-Chloro-N-pyridin-2-yl-acetamide
CID 289435
2-cyano-N-(pyridin-2-yl)acetamide
CID 706187
N-(5-chloropyridin-2-yl)-2-(4-methylphenyl)acetamide
CID 891155

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-oxobutanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-oxobutanamide (CID 811631) is N-(5-chloro-2-pyridinyl)-3-oxobutanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-oxobutanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-oxobutanamide is CC(=O)CC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-oxobutanamide?
The InChIKey is UEZASIMGDHJPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-6(13)4-9(14)12-8-3-2-7(10)5-11-8/h2-3,5H,4H2,1H3,(H,11,12,14).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-oxobutanamide?
N-(5-chloro-2-pyridinyl)-3-oxobutanamide has a molecular weight of 212.64 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-oxobutanamide is sourced from PubChem (CID 811631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).