ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate

C15H15N3O3 — CID 657486

IUPACethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate
SMILESCCOC(=O)C1C(C#N)=C(N)OC(C)=C1c1ccncc1
InChIInChI=1S/C15H15N3O3/c1-3-20-15(19)13-11(8-16)14(17)21-9(2)12(13)10-4-6-18-7-5-10/h4-7,13H,3,17H2,1-2H3
InChIKeyYZEDUDUXFWYHRD-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.72
Rot. Bonds3

About ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate

ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate (PubChem CID 657486) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate
PubChem CID657486
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Nameethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate
SMILESCCOC(=O)C1C(C#N)=C(N)OC(C)=C1c1ccncc1
InChIInChI=1S/C15H15N3O3/c1-3-20-15(19)13-11(8-16)14(17)21-9(2)12(13)10-4-6-18-7-5-10/h4-7,13H,3,17H2,1-2H3
InChIKeyYZEDUDUXFWYHRD-UHFFFAOYSA-N
XLogP1.72
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 3-pyridylacetate
CID 96490
6-Amino-5-cyano-2-phenyl-4-pyridin-3-YL-4H-pyran-3-carboxylic acid ethyl ester
CID 3156232
5-Acetyl-2-amino-6-methyl-4-(3-pyridinyl)-4H-pyran-3-carbonitrile
CID 2831029
Ethyl (E)-7-phenyl-7-(3-pyridyl)-6-heptenoate
CID 13417304
2-amino-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 604910
5-acetyl-2-amino-6-methyl-4-(pyridin-4-yl)-4H-pyran-3-carbonitrile
CID 660976
ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(pyridin-3-yl)-4H-pyran-3-carboxylate
CID 2865198
Pyridin-4-yl-acetic acid (cis)-4-methyl-cyclohexyl ester
CID 14890692
2-amino-5-oxo-4-(pyridin-4-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 604935
diethyl 2-amino-6-methyl-4-(pyridin-4-yl)-4H-pyran-3,5-dicarboxylate
CID 2837570
ethyl 6-amino-5-cyano-2-(2-ethoxy-2-oxoethyl)-4-(pyridin-4-yl)-4H-pyran-3-carboxylate
CID 2866167
Ethyl 2-(3-cyanopyridin-2-yl)acetate
CID 13050105

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate?
The IUPAC name of ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate (CID 657486) is ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate?
The canonical SMILES for ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate is CCOC(=O)C1C(C#N)=C(N)OC(C)=C1c1ccncc1.
What is the InChIKey of ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate?
The InChIKey is YZEDUDUXFWYHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-20-15(19)13-11(8-16)14(17)21-9(2)12(13)10-4-6-18-7-5-10/h4-7,13H,3,17H2,1-2H3.
What are the key properties of ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate?
ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-cyano-6-methyl-5-pyridin-4-yl-4H-pyran-4-carboxylate is sourced from PubChem (CID 657486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).