4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane

C20H26N4O4 — CID 142908596

IUPAC4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane
SMILESCC.CCOCCOc1cc2c(cc1O)Cc1c(nc(NC)c(C#N)c1N)O2
InChIInChI=1S/C18H20N4O4.C2H6/c1-3-24-4-5-25-15-8-14-10(7-13(15)23)6-11-16(20)12(9-19)17(21-2)22-18(11)26-14;1-2/h7-8,23H,3-6H2,1-2H3,(H3,20,21,22);1-2H3
InChIKeyPADMCVCMYMYKPU-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.42
Rot. Bonds6

About 4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane

4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane (PubChem CID 142908596) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane.

Molecular Properties

Compound Name4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane
PubChem CID142908596
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC Name4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane
SMILESCC.CCOCCOc1cc2c(cc1O)Cc1c(nc(NC)c(C#N)c1N)O2
InChIInChI=1S/C18H20N4O4.C2H6/c1-3-24-4-5-25-15-8-14-10(7-13(15)23)6-11-16(20)12(9-19)17(21-2)22-18(11)26-14;1-2/h7-8,23H,3-6H2,1-2H3,(H3,20,21,22);1-2H3
InChIKeyPADMCVCMYMYKPU-UHFFFAOYSA-N
XLogP3.42
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane?
The IUPAC name of 4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane (CID 142908596) is 4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane.
What is the SMILES notation for 4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane?
The canonical SMILES for 4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane is CC.CCOCCOc1cc2c(cc1O)Cc1c(nc(NC)c(C#N)c1N)O2.
What is the InChIKey of 4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane?
The InChIKey is PADMCVCMYMYKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4.C2H6/c1-3-24-4-5-25-15-8-14-10(7-13(15)23)6-11-16(20)12(9-19)17(21-2)22-18(11)26-14;1-2/h7-8,23H,3-6H2,1-2H3,(H3,20,21,22);1-2H3.
What are the key properties of 4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane?
4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane has a molecular weight of 386.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(2-ethoxyethoxy)-7-hydroxy-2-(methylamino)-5H-chromeno[2,3-b]pyridine-3-carbonitrile;ethane is sourced from PubChem (CID 142908596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).