ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate

C14H14N2O4 — CID 3303013

IUPACethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(N)OC(C)=C(C#N)C1c1ccco1
InChIInChI=1S/C14H14N2O4/c1-3-18-14(17)12-11(10-5-4-6-19-10)9(7-15)8(2)20-13(12)16/h4-6,11H,3,16H2,1-2H3
InChIKeyQKFJKQATYZKZAQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.92
Rot. Bonds3

About ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate

ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate (PubChem CID 3303013) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate
PubChem CID3303013
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Nameethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(N)OC(C)=C(C#N)C1c1ccco1
InChIInChI=1S/C14H14N2O4/c1-3-18-14(17)12-11(10-5-4-6-19-10)9(7-15)8(2)20-13(12)16/h4-6,11H,3,16H2,1-2H3
InChIKeyQKFJKQATYZKZAQ-UHFFFAOYSA-N
XLogP1.92
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate 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 ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate (CID 3303013) is ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate is CCOC(=O)C1=C(N)OC(C)=C(C#N)C1c1ccco1.
What is the InChIKey of ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate?
The InChIKey is QKFJKQATYZKZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-3-18-14(17)12-11(10-5-4-6-19-10)9(7-15)8(2)20-13(12)16/h4-6,11H,3,16H2,1-2H3.
What are the key properties of ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate?
ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-cyano-4-(furan-2-yl)-6-methyl-4H-pyran-3-carboxylate is sourced from PubChem (CID 3303013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).