1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone

C16H27N3O — CID 79318675

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone
SMILESCCN1CCCC1CN(C)CC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C16H27N3O/c1-5-19-8-6-7-14(19)10-18(4)11-16(20)15-9-12(2)17-13(15)3/h9,14,17H,5-8,10-11H2,1-4H3
InChIKeyGSNQJJGNPDNBPH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.23
Rot. Bonds6

About 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone (PubChem CID 79318675) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone
PubChem CID79318675
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone
SMILESCCN1CCCC1CN(C)CC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C16H27N3O/c1-5-19-8-6-7-14(19)10-18(4)11-16(20)15-9-12(2)17-13(15)3/h9,14,17H,5-8,10-11H2,1-4H3
InChIKeyGSNQJJGNPDNBPH-UHFFFAOYSA-N
XLogP2.23
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone with MolForge

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Related Compounds

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 62468314
2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 60713368
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 79319274
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80722173
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 66055638
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 79319599
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112700724
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]acetamide
CID 71864592
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-fluorobenzoic acid
CID 79311848

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone (CID 79318675) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone is CCN1CCCC1CN(C)CC(=O)c1cc(C)[nH]c1C.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone?
The InChIKey is GSNQJJGNPDNBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-19-8-6-7-14(19)10-18(4)11-16(20)15-9-12(2)17-13(15)3/h9,14,17H,5-8,10-11H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone?
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone has a molecular weight of 277.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone is sourced from PubChem (CID 79318675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).