methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate

C10H12N2O4 — CID 11816943

IUPACmethyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate
SMILESCOC(=O)CC1CC(C#N)=C(OC)NC1=O
InChIInChI=1S/C10H12N2O4/c1-15-8(13)4-6-3-7(5-11)10(16-2)12-9(6)14/h6H,3-4H2,1-2H3,(H,12,14)
InChIKeyIEIGBGDDQGKJBI-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.07
Rot. Bonds3

About methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate

methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate (PubChem CID 11816943) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate
PubChem CID11816943
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate
SMILESCOC(=O)CC1CC(C#N)=C(OC)NC1=O
InChIInChI=1S/C10H12N2O4/c1-15-8(13)4-6-3-7(5-11)10(16-2)12-9(6)14/h6H,3-4H2,1-2H3,(H,12,14)
InChIKeyIEIGBGDDQGKJBI-UHFFFAOYSA-N
XLogP0.07
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate?
The IUPAC name of methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate (CID 11816943) is methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate.
What is the SMILES notation for methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate?
The canonical SMILES for methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate is COC(=O)CC1CC(C#N)=C(OC)NC1=O.
What is the InChIKey of methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate?
The InChIKey is IEIGBGDDQGKJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-15-8(13)4-6-3-7(5-11)10(16-2)12-9(6)14/h6H,3-4H2,1-2H3,(H,12,14).
What are the key properties of methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate?
methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate has a molecular weight of 224.22 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate is sourced from PubChem (CID 11816943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).