1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one

C13H20N2O — CID 116562736

IUPAC1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
SMILESCCCNCC(=O)Cc1ccc(CC)cn1
InChIInChI=1S/C13H20N2O/c1-3-7-14-10-13(16)8-12-6-5-11(4-2)9-15-12/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyUTHUNEQAHRGIRM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.76
Rot. Bonds7

About 1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one

1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one (PubChem CID 116562736) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
PubChem CID116562736
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
SMILESCCCNCC(=O)Cc1ccc(CC)cn1
InChIInChI=1S/C13H20N2O/c1-3-7-14-10-13(16)8-12-6-5-11(4-2)9-15-12/h5-6,9,14H,3-4,7-8,10H2,1-2H3
InChIKeyUTHUNEQAHRGIRM-UHFFFAOYSA-N
XLogP1.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
CID 116554816
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
CID 116549923
5-amino-1-(5-ethyl-2-pyridinyl)hexan-2-one
CID 116571567
1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one
CID 79745887
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
1-(5-ethyl-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-one
CID 79745251
3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 116566003
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
CID 116578619
1-(5-ethyl-2-pyridinyl)-4-(4-methoxyphenyl)butan-2-one
CID 115786128
1-(5-ethyl-2-pyridinyl)heptan-4-one
CID 79738865

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one (CID 116562736) is 1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one is CCCNCC(=O)Cc1ccc(CC)cn1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one?
The InChIKey is UTHUNEQAHRGIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-7-14-10-13(16)8-12-6-5-11(4-2)9-15-12/h5-6,9,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one?
1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one is sourced from PubChem (CID 116562736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).