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

C16H16N4O2 — CID 91973282

IUPAC2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCCCC1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21
InChIInChI=1S/C16H16N4O2/c1-2-3-10-9-5-4-8(21)6-12(9)22-16-13(10)14(18)11(7-17)15(19)20-16/h4-6,10,21H,2-3H2,1H3,(H4,18,19,20)
InChIKeyIAJCUTUTYXZIJX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.86
Rot. Bonds2

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

2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 91973282) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID91973282
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESCCCC1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21
InChIInChI=1S/C16H16N4O2/c1-2-3-10-9-5-4-8(21)6-12(9)22-16-13(10)14(18)11(7-17)15(19)20-16/h4-6,10,21H,2-3H2,1H3,(H4,18,19,20)
InChIKeyIAJCUTUTYXZIJX-UHFFFAOYSA-N
XLogP2.86
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 91973282) is 2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile is CCCC1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21.
What is the InChIKey of 2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is IAJCUTUTYXZIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-3-10-9-5-4-8(21)6-12(9)22-16-13(10)14(18)11(7-17)15(19)20-16/h4-6,10,21H,2-3H2,1H3,(H4,18,19,20).
What are the key properties of 2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-8-hydroxy-5-propyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 91973282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).