ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate

C20H23N3O4 — CID 2779719

IUPACethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-26-20(24)17-13(2)27-19(22)16(12-21)18(17)14-4-6-15(7-5-14)23-8-10-25-11-9-23/h4-7,18H,3,8-11,22H2,1-2H3
InChIKeySJGQKMUIJVQXHO-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.17
Rot. Bonds4

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

ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate (PubChem CID 2779719) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate
PubChem CID2779719
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Nameethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate
SMILESCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-26-20(24)17-13(2)27-19(22)16(12-21)18(17)14-4-6-15(7-5-14)23-8-10-25-11-9-23/h4-7,18H,3,8-11,22H2,1-2H3
InChIKeySJGQKMUIJVQXHO-UHFFFAOYSA-N
XLogP2.17
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate?
The IUPAC name of ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate (CID 2779719) is ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate.
What is the SMILES notation for ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate?
The canonical SMILES for ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate is CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate?
The InChIKey is SJGQKMUIJVQXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-26-20(24)17-13(2)27-19(22)16(12-21)18(17)14-4-6-15(7-5-14)23-8-10-25-11-9-23/h4-7,18H,3,8-11,22H2,1-2H3.
What are the key properties of ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate?
ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-amino-5-cyano-2-methyl-4-(4-morpholin-4-ylphenyl)-4H-pyran-3-carboxylate is sourced from PubChem (CID 2779719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).