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

C13H10N4O — CID 10243273

IUPAC2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)Cc1ccccc1O2
InChIInChI=1S/C13H10N4O/c14-6-9-11(15)8-5-7-3-1-2-4-10(7)18-13(8)17-12(9)16/h1-4H,5H2,(H4,15,16,17)
InChIKeyZFHULZADEJLSOB-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.81
Rot. Bonds

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

2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 10243273) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID10243273
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)Cc1ccccc1O2
InChIInChI=1S/C13H10N4O/c14-6-9-11(15)8-5-7-3-1-2-4-10(7)18-13(8)17-12(9)16/h1-4H,5H2,(H4,15,16,17)
InChIKeyZFHULZADEJLSOB-UHFFFAOYSA-N
XLogP1.81
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 10243273) is 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1N)Cc1ccccc1O2.
What is the InChIKey of 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is ZFHULZADEJLSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-6-9-11(15)8-5-7-3-1-2-4-10(7)18-13(8)17-12(9)16/h1-4H,5H2,(H4,15,16,17).
What are the key properties of 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 1.81, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 10243273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).