2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile

C20H14N2O — CID 2817302

IUPAC2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCC1=C(C#N)C(c2ccccc2)C2=C(N1)c1ccccc1C2=O
InChIInChI=1S/C20H14N2O/c1-12-16(11-21)17(13-7-3-2-4-8-13)18-19(22-12)14-9-5-6-10-15(14)20(18)23/h2-10,17,22H,1H3
InChIKeyDJULTALVBVQFSS-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.78
Rot. Bonds1

About 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile

2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 2817302) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID2817302
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCC1=C(C#N)C(c2ccccc2)C2=C(N1)c1ccccc1C2=O
InChIInChI=1S/C20H14N2O/c1-12-16(11-21)17(13-7-3-2-4-8-13)18-19(22-12)14-9-5-6-10-15(14)20(18)23/h2-10,17,22H,1H3
InChIKeyDJULTALVBVQFSS-UHFFFAOYSA-N
XLogP3.78
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_keto_A(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (CID 2817302) is 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is CC1=C(C#N)C(c2ccccc2)C2=C(N1)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is DJULTALVBVQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c1-12-16(11-21)17(13-7-3-2-4-8-13)18-19(22-12)14-9-5-6-10-15(14)20(18)23/h2-10,17,22H,1H3.
What are the key properties of 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 298.35 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-4-phenyl-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 2817302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).