2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile

C20H16N4O3 — CID 91972768

IUPAC2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCOc1ccccc1C1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21
InChIInChI=1S/C20H16N4O3/c1-26-14-5-3-2-4-11(14)16-12-7-6-10(25)8-15(12)27-20-17(16)18(22)13(9-21)19(23)24-20/h2-8,16,25H,1H3,(H4,22,23,24)
InChIKeyGBYHKHUNRNLAFY-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.12
Rot. Bonds2

About 2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile

2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 91972768) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID91972768
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCOc1ccccc1C1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21
InChIInChI=1S/C20H16N4O3/c1-26-14-5-3-2-4-11(14)16-12-7-6-10(25)8-15(12)27-20-17(16)18(22)13(9-21)19(23)24-20/h2-8,16,25H,1H3,(H4,22,23,24)
InChIKeyGBYHKHUNRNLAFY-UHFFFAOYSA-N
XLogP3.12
TPSA127.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 91972768) is 2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile is COc1ccccc1C1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21.
What is the InChIKey of 2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is GBYHKHUNRNLAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-26-14-5-3-2-4-11(14)16-12-7-6-10(25)8-15(12)27-20-17(16)18(22)13(9-21)19(23)24-20/h2-8,16,25H,1H3,(H4,22,23,24).
What are the key properties of 2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 360.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-8-hydroxy-5-(2-methoxyphenyl)-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 91972768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).