2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide

C13H19N3O3 — CID 86996735

IUPAC2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide
SMILESCC(C)(CNC(=O)CCn1ccccc1=O)C(N)=O
InChIInChI=1S/C13H19N3O3/c1-13(2,12(14)19)9-15-10(17)6-8-16-7-4-3-5-11(16)18/h3-5,7H,6,8-9H2,1-2H3,(H2,14,19)(H,15,17)
InChIKeyTYLGSJQWPXRIOL-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.13
Rot. Bonds6

About 2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide

2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide (PubChem CID 86996735) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide
PubChem CID86996735
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide
SMILESCC(C)(CNC(=O)CCn1ccccc1=O)C(N)=O
InChIInChI=1S/C13H19N3O3/c1-13(2,12(14)19)9-15-10(17)6-8-16-7-4-3-5-11(16)18/h3-5,7H,6,8-9H2,1-2H3,(H2,14,19)(H,15,17)
InChIKeyTYLGSJQWPXRIOL-UHFFFAOYSA-N
XLogP-0.13
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Aminopropyl)-1,2-dihydropyridin-2-one
CID 572935
2-oxo-N-(6-oxo-1-propyl-3-pyridinyl)-1H-pyridine-3-carboxamide
CID 47256613
1-(3-Aminopropyl)-2(1H)-pyridinone hydrochloride
CID 43810793
N-(but-3-yn-1-yl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 56765701
N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 13928728
1-(n-Propyl)-nicotinamide
CID 21881589
1-Ethylnicotinamide
CID 21881596
2-Hydroxy-n,n-diethylnicotinamide
CID 59042094
N-(2-methylpropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 17409434
N-[(2S)-3-methylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 29842094
2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 30481294
N,N-diethyl-3-(2-oxo-1-pyridinyl)propanamide
CID 45815059

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide (CID 86996735) is 2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide is CC(C)(CNC(=O)CCn1ccccc1=O)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide?
The InChIKey is TYLGSJQWPXRIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,12(14)19)9-15-10(17)6-8-16-7-4-3-5-11(16)18/h3-5,7H,6,8-9H2,1-2H3,(H2,14,19)(H,15,17).
What are the key properties of 2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide?
2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide has a molecular weight of 265.31 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide is sourced from PubChem (CID 86996735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).