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

C19H14N4O2S — CID 15953608

IUPAC2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)C(Sc1ccccc1)c1ccc(O)cc1O2
InChIInChI=1S/C19H14N4O2S/c20-9-13-16(21)15-17(26-11-4-2-1-3-5-11)12-7-6-10(24)8-14(12)25-19(15)23-18(13)22/h1-8,17,24H,(H4,21,22,23)
InChIKeyXBBDLACZHBPXAH-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.81
Rot. Bonds2

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

2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 15953608) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID15953608
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)C(Sc1ccccc1)c1ccc(O)cc1O2
InChIInChI=1S/C19H14N4O2S/c20-9-13-16(21)15-17(26-11-4-2-1-3-5-11)12-7-6-10(24)8-14(12)25-19(15)23-18(13)22/h1-8,17,24H,(H4,21,22,23)
InChIKeyXBBDLACZHBPXAH-UHFFFAOYSA-N
XLogP3.81
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.81
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-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 15953608) is 2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1N)C(Sc1ccccc1)c1ccc(O)cc1O2.
What is the InChIKey of 2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is XBBDLACZHBPXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c20-9-13-16(21)15-17(26-11-4-2-1-3-5-11)12-7-6-10(24)8-14(12)25-19(15)23-18(13)22/h1-8,17,24H,(H4,21,22,23).
What are the key properties of 2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-8-hydroxy-5-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 362.41 g/mol, XLogP of 3.81, 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-phenylsulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 15953608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).