5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide

C13H16N2O3 — CID 10944780

IUPAC5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide
SMILESCC(C)(C)C(=O)CC(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C13H16N2O3/c1-13(2,3)11(17)7-10(16)12(18)15-9-5-4-6-14-8-9/h4-6,8H,7H2,1-3H3,(H,15,18)
InChIKeyYQSGVDFUTXSQMR-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.59
Rot. Bonds4

About 5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide

5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide (PubChem CID 10944780) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide.

Molecular Properties

Compound Name5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide
PubChem CID10944780
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide
SMILESCC(C)(C)C(=O)CC(=O)C(=O)Nc1cccnc1
InChIInChI=1S/C13H16N2O3/c1-13(2,3)11(17)7-10(16)12(18)15-9-5-4-6-14-8-9/h4-6,8H,7H2,1-3H3,(H,15,18)
InChIKeyYQSGVDFUTXSQMR-UHFFFAOYSA-N
XLogP1.59
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one
CID 71023963
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
N-(4-acetylphenyl)-N'-pyridin-3-yloxamide
CID 108514790
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
CID 111519668
(5Z)-5-methyl-6-(pyridin-3-ylamino)hepta-1,5-dien-4-one
CID 143955611
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
N-pyridin-3-ylprop-2-ynamide
CID 130904210
N'-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]-N-pyridin-3-yloxamide
CID 6163714

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide?
The IUPAC name of 5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide (CID 10944780) is 5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide.
What is the SMILES notation for 5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide?
The canonical SMILES for 5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide is CC(C)(C)C(=O)CC(=O)C(=O)Nc1cccnc1.
What is the InChIKey of 5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide?
The InChIKey is YQSGVDFUTXSQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2,3)11(17)7-10(16)12(18)15-9-5-4-6-14-8-9/h4-6,8H,7H2,1-3H3,(H,15,18).
What are the key properties of 5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide?
5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide has a molecular weight of 248.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,4-dioxo-N-pyridin-3-ylhexanamide is sourced from PubChem (CID 10944780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).