2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile

C20H20N2O5 — CID 3953006

IUPAC2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile
SMILESCCOc1cccc(OCC)c1C1C(C#N)=C(N)Oc2oc(C)cc(=O)c21
InChIInChI=1S/C20H20N2O5/c1-4-24-14-7-6-8-15(25-5-2)18(14)16-12(10-21)19(22)27-20-17(16)13(23)9-11(3)26-20/h6-9,16H,4-5,22H2,1-3H3
InChIKeyOMGUTEVRYURYBF-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.96
Rot. Bonds5

About 2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile

2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile (PubChem CID 3953006) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile
PubChem CID3953006
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile
SMILESCCOc1cccc(OCC)c1C1C(C#N)=C(N)Oc2oc(C)cc(=O)c21
InChIInChI=1S/C20H20N2O5/c1-4-24-14-7-6-8-15(25-5-2)18(14)16-12(10-21)19(22)27-20-17(16)13(23)9-11(3)26-20/h6-9,16H,4-5,22H2,1-3H3
InChIKeyOMGUTEVRYURYBF-UHFFFAOYSA-N
XLogP2.96
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile with MolForge

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Related Compounds

(4S)-2-amino-4-(2,3-dimethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile
CID 722166
2-amino-4-(4-methoxy-2-propoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile
CID 4301886
(4R)-2-amino-4-(4-bromophenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile
CID 1261448
(4S)-2-amino-4-(4-bromophenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile
CID 1261450
(4R)-5-acetyl-2-amino-4-(2-ethoxyphenyl)-6-methyl-4H-pyran-3-carbonitrile
CID 968125
methyl 6-amino-5-cyano-4-(2-ethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 2892957
(4R)-2-amino-4-(2,3-diethoxyphenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 1391170
ethyl 6-amino-5-cyano-4-(2,6-dimethylphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 169390358
ethyl (4S)-6-amino-5-cyano-4-(2-ethoxyphenyl)-2-propyl-4H-pyran-3-carboxylate
CID 1377389
[2-amino-3-cyano-4-(2-ethoxyphenyl)-4H-chromen-7-yl] benzoate
CID 19121105
2-amino-4-(2,6-dichlorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 3118462
(4S)-2-amino-4-[2-[(4-chlorophenyl)methoxy]phenyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 40956917

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile (CID 3953006) is 2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile is CCOc1cccc(OCC)c1C1C(C#N)=C(N)Oc2oc(C)cc(=O)c21.
What is the InChIKey of 2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile?
The InChIKey is OMGUTEVRYURYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-4-24-14-7-6-8-15(25-5-2)18(14)16-12(10-21)19(22)27-20-17(16)13(23)9-11(3)26-20/h6-9,16H,4-5,22H2,1-3H3.
What are the key properties of 2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile?
2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile has a molecular weight of 368.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,6-diethoxyphenyl)-7-methyl-5-oxo-4H-pyrano[2,3-b]pyran-3-carbonitrile is sourced from PubChem (CID 3953006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).