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

C13H20N2O — CID 116554816

IUPAC1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
SMILESCCc1ccc(CC(=O)CNC(C)C)nc1
InChIInChI=1S/C13H20N2O/c1-4-11-5-6-12(15-8-11)7-13(16)9-14-10(2)3/h5-6,8,10,14H,4,7,9H2,1-3H3
InChIKeyQOABWSMRQZOPBW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.75
Rot. Bonds6

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

1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one (PubChem CID 116554816) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
PubChem CID116554816
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one
SMILESCCc1ccc(CC(=O)CNC(C)C)nc1
InChIInChI=1S/C13H20N2O/c1-4-11-5-6-12(15-8-11)7-13(16)9-14-10(2)3/h5-6,8,10,14H,4,7,9H2,1-3H3
InChIKeyQOABWSMRQZOPBW-UHFFFAOYSA-N
XLogP1.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-pyridinyl)-3-(propylamino)propan-2-one
CID 116562736
5-amino-1-(5-ethyl-2-pyridinyl)hexan-2-one
CID 116571567
1-(5-ethyl-2-pyridinyl)-3-hydroxybutan-2-one
CID 103451397
1-(5-ethyl-2-pyridinyl)-4-(methylamino)butan-2-one
CID 116561045
1-(5-ethyl-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-one
CID 79745251
1-(1-aminocyclopentyl)-3-(5-ethyl-2-pyridinyl)propan-2-one
CID 116578619
1-(5-ethyl-2-pyridinyl)-3,3-dimethylbutan-2-one
CID 79745157
7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
CID 116549923
1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-one
CID 79745887
4-amino-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-one
CID 116552960
3-(ethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-one
CID 116566003
methyl 2-[(5-ethyl-2-pyridinyl)methyl]-3-methylbutanoate
CID 79739459

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one (CID 116554816) is 1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one is CCc1ccc(CC(=O)CNC(C)C)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one?
The InChIKey is QOABWSMRQZOPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-11-5-6-12(15-8-11)7-13(16)9-14-10(2)3/h5-6,8,10,14H,4,7,9H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one?
1-(5-ethyl-2-pyridinyl)-3-(propan-2-ylamino)propan-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.75, 6 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-(propan-2-ylamino)propan-2-one is sourced from PubChem (CID 116554816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).