3-oxo-2-pyridin-3-ylbutanamide

C9H10N2O2 — CID 166794153

IUPAC3-oxo-2-pyridin-3-ylbutanamide
SMILESCC(=O)C(C(N)=O)c1cccnc1
InChIInChI=1S/C9H10N2O2/c1-6(12)8(9(10)13)7-3-2-4-11-5-7/h2-5,8H,1H3,(H2,10,13)
InChIKeyAWQQFCUUCPOCTH-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.24
Rot. Bonds3

About 3-oxo-2-pyridin-3-ylbutanamide

3-oxo-2-pyridin-3-ylbutanamide (PubChem CID 166794153) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-oxo-2-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name3-oxo-2-pyridin-3-ylbutanamide
PubChem CID166794153
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-oxo-2-pyridin-3-ylbutanamide
SMILESCC(=O)C(C(N)=O)c1cccnc1
InChIInChI=1S/C9H10N2O2/c1-6(12)8(9(10)13)7-3-2-4-11-5-7/h2-5,8H,1H3,(H2,10,13)
InChIKeyAWQQFCUUCPOCTH-UHFFFAOYSA-N
XLogP0.24
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.24
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

methyl 3-oxo-2-pyridin-3-ylbutanoate
CID 54382614
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
4-methyl-2-pyridin-3-ylpentanamide
CID 68724697
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
3,3-dimethyl-4,4-dipyridin-3-ylbutanamide
CID 118946294
2-pyridin-3-ylpropanehydrazide
CID 116843938
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
[(S)-(4-propan-2-ylphenyl)-pyridin-3-ylmethyl] acetate
CID 166439139
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-pyridin-3-ylbutanamide?
The IUPAC name of 3-oxo-2-pyridin-3-ylbutanamide (CID 166794153) is 3-oxo-2-pyridin-3-ylbutanamide.
What is the SMILES notation for 3-oxo-2-pyridin-3-ylbutanamide?
The canonical SMILES for 3-oxo-2-pyridin-3-ylbutanamide is CC(=O)C(C(N)=O)c1cccnc1.
What is the InChIKey of 3-oxo-2-pyridin-3-ylbutanamide?
The InChIKey is AWQQFCUUCPOCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6(12)8(9(10)13)7-3-2-4-11-5-7/h2-5,8H,1H3,(H2,10,13).
What are the key properties of 3-oxo-2-pyridin-3-ylbutanamide?
3-oxo-2-pyridin-3-ylbutanamide has a molecular weight of 178.19 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-pyridin-3-ylbutanamide is sourced from PubChem (CID 166794153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).