2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile

C18H11N3O2 — CID 2816447

IUPAC2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccncc2)c2c([nH]c1=O)-c1ccccc1OC2
InChIInChI=1S/C18H11N3O2/c19-9-13-16(11-5-7-20-8-6-11)14-10-23-15-4-2-1-3-12(15)17(14)21-18(13)22/h1-8H,10H2,(H,21,22)
InChIKeyGXUJILPZVBWOIY-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.87
Rot. Bonds1

About 2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile

2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile (PubChem CID 2816447) has the molecular formula C18H11N3O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
PubChem CID2816447
Molecular FormulaC18H11N3O2
Molecular Weight301.31 g/mol
Exact Mass301.09
IUPAC Name2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccncc2)c2c([nH]c1=O)-c1ccccc1OC2
InChIInChI=1S/C18H11N3O2/c19-9-13-16(11-5-7-20-8-6-11)14-10-23-15-4-2-1-3-12(15)17(14)21-18(13)22/h1-8H,10H2,(H,21,22)
InChIKeyGXUJILPZVBWOIY-UHFFFAOYSA-N
XLogP2.87
TPSA78.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile (CID 2816447) is 2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile is N#Cc1c(-c2ccncc2)c2c([nH]c1=O)-c1ccccc1OC2.
What is the InChIKey of 2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The InChIKey is GXUJILPZVBWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2/c19-9-13-16(11-5-7-20-8-6-11)14-10-23-15-4-2-1-3-12(15)17(14)21-18(13)22/h1-8H,10H2,(H,21,22).
What are the key properties of 2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile has a molecular weight of 301.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-pyridin-4-yl-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2816447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).