6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile

C16H10N2O3 — CID 168585262

IUPAC6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc3oc(=O)ccc3c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C16H10N2O3/c1-9-6-12(13(8-17)16(20)18-9)10-2-4-14-11(7-10)3-5-15(19)21-14/h2-7H,1H3,(H,18,20)
InChIKeyAGKNUNJFQKSIQX-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.33
Rot. Bonds1

About 6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile (PubChem CID 168585262) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile
PubChem CID168585262
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc3oc(=O)ccc3c2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C16H10N2O3/c1-9-6-12(13(8-17)16(20)18-9)10-2-4-14-11(7-10)3-5-15(19)21-14/h2-7H,1H3,(H,18,20)
InChIKeyAGKNUNJFQKSIQX-UHFFFAOYSA-N
XLogP2.33
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile (CID 168585262) is 6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc3oc(=O)ccc3c2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile?
The InChIKey is AGKNUNJFQKSIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c1-9-6-12(13(8-17)16(20)18-9)10-2-4-14-11(7-10)3-5-15(19)21-14/h2-7H,1H3,(H,18,20).
What are the key properties of 6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile has a molecular weight of 278.27 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-4-(2-oxochromen-6-yl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168585262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).