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

C21H16N2O2 — CID 660206

IUPAC4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C21H16N2O2/c1-12-17(11-22)18(13-7-9-14(25-2)10-8-13)19-20(23-12)15-5-3-4-6-16(15)21(19)24/h3-10,18,23H,1-2H3
InChIKeyZNKULDJIDXCXTG-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.79
Rot. Bonds2

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

4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (PubChem CID 660206) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
PubChem CID660206
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
SMILESCOc1ccc(C2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C21H16N2O2/c1-12-17(11-22)18(13-7-9-14(25-2)10-8-13)19-20(23-12)15-5-3-4-6-16(15)21(19)24/h3-10,18,23H,1-2H3
InChIKeyZNKULDJIDXCXTG-UHFFFAOYSA-N
XLogP3.79
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile (CID 660206) is 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is COc1ccc(C2C(C#N)=C(C)NC3=C2C(=O)c2ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
The InChIKey is ZNKULDJIDXCXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-12-17(11-22)18(13-7-9-14(25-2)10-8-13)19-20(23-12)15-5-3-4-6-16(15)21(19)24/h3-10,18,23H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile?
4-(4-methoxyphenyl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile has a molecular weight of 328.37 g/mol, XLogP of 3.79, 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-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile is sourced from PubChem (CID 660206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).