5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one

C13H19N3O2 — CID 79026034

IUPAC5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC1CN(C(=O)c2ccc(=O)[nH]c2)CC1N(C)C
InChIInChI=1S/C13H19N3O2/c1-9-7-16(8-11(9)15(2)3)13(18)10-4-5-12(17)14-6-10/h4-6,9,11H,7-8H2,1-3H3,(H,14,17)
InChIKeyPXYXFGSOTFSTIH-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.40
Rot. Bonds2

About 5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 79026034) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID79026034
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCC1CN(C(=O)c2ccc(=O)[nH]c2)CC1N(C)C
InChIInChI=1S/C13H19N3O2/c1-9-7-16(8-11(9)15(2)3)13(18)10-4-5-12(17)14-6-10/h4-6,9,11H,7-8H2,1-3H3,(H,14,17)
InChIKeyPXYXFGSOTFSTIH-UHFFFAOYSA-N
XLogP0.40
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681235
5-(2-methyl-6-phenylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 47914673
5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 95583766
5-(2-methylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 115611728
6-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-N'-hydroxypyridine-3-carboximidamide
CID 81465067
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
5-[3-[(6-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]-1H-pyridin-2-one
CID 122249403
(3R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 28826297
5-[(3R,4R)-3-(hydroxymethyl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 72920843
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 112630666
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82829048

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 79026034) is 5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one is CC1CN(C(=O)c2ccc(=O)[nH]c2)CC1N(C)C.
What is the InChIKey of 5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PXYXFGSOTFSTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-16(8-11(9)15(2)3)13(18)10-4-5-12(17)14-6-10/h4-6,9,11H,7-8H2,1-3H3,(H,14,17).
What are the key properties of 5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one?
5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 79026034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).