5-(2-aminoethylamino)-1-ethylpyridin-2-one

C9H15N3O — CID 130588922

IUPAC5-(2-aminoethylamino)-1-ethylpyridin-2-one
SMILESCCn1cc(NCCN)ccc1=O
InChIInChI=1S/C9H15N3O/c1-2-12-7-8(11-6-5-10)3-4-9(12)13/h3-4,7,11H,2,5-6,10H2,1H3
InChIKeyONSQRCAVQGPVMY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.24
Rot. Bonds4

About 5-(2-aminoethylamino)-1-ethylpyridin-2-one

5-(2-aminoethylamino)-1-ethylpyridin-2-one (PubChem CID 130588922) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-1-ethylpyridin-2-one
PubChem CID130588922
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(2-aminoethylamino)-1-ethylpyridin-2-one
SMILESCCn1cc(NCCN)ccc1=O
InChIInChI=1S/C9H15N3O/c1-2-12-7-8(11-6-5-10)3-4-9(12)13/h3-4,7,11H,2,5-6,10H2,1H3
InChIKeyONSQRCAVQGPVMY-UHFFFAOYSA-N
XLogP0.24
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(pentylamino)pyridin-2-one
CID 60942788
5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
CID 54864001
1-ethyl-5-(prop-2-ynylamino)pyridin-2-one
CID 63950885
1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
5-(2,6-dimethylheptan-4-ylamino)-1-ethylpyridin-2-one
CID 54863810
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
CID 119723761
5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one
CID 103398925
5-(cyclopropylamino)-1-ethylpyridin-2-one
CID 103439175
2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
CID 107471465
3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 112738988
(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide
CID 103929013
5-[(5-chlorofuran-2-yl)methylamino]-1-ethylpyridin-2-one
CID 54863971

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-1-ethylpyridin-2-one?
The IUPAC name of 5-(2-aminoethylamino)-1-ethylpyridin-2-one (CID 130588922) is 5-(2-aminoethylamino)-1-ethylpyridin-2-one.
What is the SMILES notation for 5-(2-aminoethylamino)-1-ethylpyridin-2-one?
The canonical SMILES for 5-(2-aminoethylamino)-1-ethylpyridin-2-one is CCn1cc(NCCN)ccc1=O.
What is the InChIKey of 5-(2-aminoethylamino)-1-ethylpyridin-2-one?
The InChIKey is ONSQRCAVQGPVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-12-7-8(11-6-5-10)3-4-9(12)13/h3-4,7,11H,2,5-6,10H2,1H3.
What are the key properties of 5-(2-aminoethylamino)-1-ethylpyridin-2-one?
5-(2-aminoethylamino)-1-ethylpyridin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-1-ethylpyridin-2-one is sourced from PubChem (CID 130588922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).