2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone

C14H21N3O — CID 107337486

IUPAC2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-11(2)17(10)14(18)8-13-7-6-12(15)9-16-13/h6-7,9-11H,3-5,8,15H2,1-2H3
InChIKeyNKBGBFPSYTUUNP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.00
Rot. Bonds2

About 2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 107337486) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID107337486
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C14H21N3O/c1-10-4-3-5-11(2)17(10)14(18)8-13-7-6-12(15)9-16-13/h6-7,9-11H,3-5,8,15H2,1-2H3
InChIKeyNKBGBFPSYTUUNP-UHFFFAOYSA-N
XLogP2.00
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16784397
2-(5-amino-2-pyridinyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 107338846
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107339471
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107338538
2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
2-(5-amino-2-pyridinyl)-N-cyclohexyl-N-methylacetamide
CID 107337433
2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
CID 120647136
2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 120641372

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 107337486) is 2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)Cc1ccc(N)cn1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is NKBGBFPSYTUUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-3-5-11(2)17(10)14(18)8-13-7-6-12(15)9-16-13/h6-7,9-11H,3-5,8,15H2,1-2H3.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 107337486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).