2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate

C10H16N2O3 — CID 142693441

IUPAC2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate
SMILESCC(=O)OCCC1=C(C)CCN(N)C1=O
InChIInChI=1S/C10H16N2O3/c1-7-3-5-12(11)10(14)9(7)4-6-15-8(2)13/h3-6,11H2,1-2H3
InChIKeyMYWCSTMMAYTTFB-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.36
Rot. Bonds3

About 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate

2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate (PubChem CID 142693441) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate
PubChem CID142693441
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate
SMILESCC(=O)OCCC1=C(C)CCN(N)C1=O
InChIInChI=1S/C10H16N2O3/c1-7-3-5-12(11)10(14)9(7)4-6-15-8(2)13/h3-6,11H2,1-2H3
InChIKeyMYWCSTMMAYTTFB-UHFFFAOYSA-N
XLogP0.36
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate?
The IUPAC name of 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate (CID 142693441) is 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate.
What is the SMILES notation for 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate?
The canonical SMILES for 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate is CC(=O)OCCC1=C(C)CCN(N)C1=O.
What is the InChIKey of 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate?
The InChIKey is MYWCSTMMAYTTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7-3-5-12(11)10(14)9(7)4-6-15-8(2)13/h3-6,11H2,1-2H3.
What are the key properties of 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate?
2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate has a molecular weight of 212.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-methyl-6-oxo-2,3-dihydropyridin-5-yl)ethyl acetate is sourced from PubChem (CID 142693441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).