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

C20H12N2O — CID 752980

IUPAC2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(-c3ccccc3)c1C#N)C(=O)c1ccccc1-2
InChIInChI=1S/C20H12N2O/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/h2-10H,1H3
InChIKeyABJAWCBRBJOZQR-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.14
Rot. Bonds1

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

2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 752980) has the molecular formula C20H12N2O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID752980
Molecular FormulaC20H12N2O
Molecular Weight296.33 g/mol
Exact Mass296.09
IUPAC Name2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile
SMILESCc1nc2c(c(-c3ccccc3)c1C#N)C(=O)c1ccccc1-2
InChIInChI=1S/C20H12N2O/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/h2-10H,1H3
InChIKeyABJAWCBRBJOZQR-UHFFFAOYSA-N
XLogP4.14
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile (CID 752980) is 2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile is Cc1nc2c(c(-c3ccccc3)c1C#N)C(=O)c1ccccc1-2.
What is the InChIKey of 2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is ABJAWCBRBJOZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O/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/h2-10H,1H3.
What are the key properties of 2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile?
2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-4-phenylindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 752980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).