1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C10H11N3O3 — CID 62816378

IUPAC1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCC(C#N)OC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C10H11N3O3/c1-7(4-11)16-10(15)6-13-5-8(12)2-3-9(13)14/h2-3,5,7H,6,12H2,1H3
InChIKeyANVBHIGWYQRRJD-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.11
Rot. Bonds3

About 1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 62816378) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID62816378
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESCC(C#N)OC(=O)Cn1cc(N)ccc1=O
InChIInChI=1S/C10H11N3O3/c1-7(4-11)16-10(15)6-13-5-8(12)2-3-9(13)14/h2-3,5,7H,6,12H2,1H3
InChIKeyANVBHIGWYQRRJD-UHFFFAOYSA-N
XLogP-0.11
TPSA98.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of 1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 62816378) is 1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for 1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for 1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is CC(C#N)OC(=O)Cn1cc(N)ccc1=O.
What is the InChIKey of 1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is ANVBHIGWYQRRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-7(4-11)16-10(15)6-13-5-8(12)2-3-9(13)14/h2-3,5,7H,6,12H2,1H3.
What are the key properties of 1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 221.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanoethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62816378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).