4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile

C20H14N2O3 — CID 848933

IUPAC4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c3c([nH]c(=O)c2C#N)-c2ccccc2OC3)cc1
InChIInChI=1S/C20H14N2O3/c1-24-13-8-6-12(7-9-13)18-15(10-21)20(23)22-19-14-4-2-3-5-17(14)25-11-16(18)19/h2-9H,11H2,1H3,(H,22,23)
InChIKeyQEWGCRFWOZRCSC-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.48
Rot. Bonds2

About 4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile

4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile (PubChem CID 848933) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
PubChem CID848933
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c3c([nH]c(=O)c2C#N)-c2ccccc2OC3)cc1
InChIInChI=1S/C20H14N2O3/c1-24-13-8-6-12(7-9-13)18-15(10-21)20(23)22-19-14-4-2-3-5-17(14)25-11-16(18)19/h2-9H,11H2,1H3,(H,22,23)
InChIKeyQEWGCRFWOZRCSC-UHFFFAOYSA-N
XLogP3.48
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile (CID 848933) is 4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile is COc1ccc(-c2c3c([nH]c(=O)c2C#N)-c2ccccc2OC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
The InChIKey is QEWGCRFWOZRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-24-13-8-6-12(7-9-13)18-15(10-21)20(23)22-19-14-4-2-3-5-17(14)25-11-16(18)19/h2-9H,11H2,1H3,(H,22,23).
What are the key properties of 4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile?
4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile has a molecular weight of 330.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-oxo-1,5-dihydrochromeno[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 848933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).