2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone

C10H15N3O2 — CID 116591054

IUPAC2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone
SMILESCc1cnc(N)c(C(=O)COCCN)c1
InChIInChI=1S/C10H15N3O2/c1-7-4-8(10(12)13-5-7)9(14)6-15-3-2-11/h4-5H,2-3,6,11H2,1H3,(H2,12,13)
InChIKeyHUSXWOUJVBXZOX-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.13
Rot. Bonds5

About 2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone

2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone (PubChem CID 116591054) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone
PubChem CID116591054
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone
SMILESCc1cnc(N)c(C(=O)COCCN)c1
InChIInChI=1S/C10H15N3O2/c1-7-4-8(10(12)13-5-7)9(14)6-15-3-2-11/h4-5H,2-3,6,11H2,1H3,(H2,12,13)
InChIKeyHUSXWOUJVBXZOX-UHFFFAOYSA-N
XLogP0.13
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116596708
1-(2-amino-5-methyl-3-pyridinyl)-2-ethylsulfanylethanone
CID 65130731
1-(2-amino-5-methyl-3-pyridinyl)-2-(2,4-difluorophenyl)ethanone
CID 64558684
2-(2-aminoethoxy)-1-(4-amino-3-pyridinyl)ethanone
CID 116590825
2-(2-aminoethoxy)-1-(5-fluoro-2-methylphenyl)ethanone
CID 116590821
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-3-methylbutan-1-one
CID 116574050
1-(2-amino-5-methyl-3-pyridinyl)-2-anilinoethanone
CID 116555449
[1-(aminomethyl)cyclohexyl]-(2-amino-5-methyl-3-pyridinyl)methanone
CID 116600748
1-(2-amino-5-methyl-3-pyridinyl)-2-piperidin-4-ylethanone
CID 116560007
2-(2-aminoethoxy)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107514948
2-(aminomethyl)-1-(2-amino-5-methyl-3-pyridinyl)-2-methylbutan-1-one
CID 116611000
1-(2-amino-5-methyl-3-pyridinyl)-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456303

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone (CID 116591054) is 2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone is Cc1cnc(N)c(C(=O)COCCN)c1.
What is the InChIKey of 2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone?
The InChIKey is HUSXWOUJVBXZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-4-8(10(12)13-5-7)9(14)6-15-3-2-11/h4-5H,2-3,6,11H2,1H3,(H2,12,13).
What are the key properties of 2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone?
2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone has a molecular weight of 209.25 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(2-amino-5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 116591054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).