4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile

C16H14N2O — CID 82087393

IUPAC4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
SMILESCc1ccc(-c2c3c([nH]c(=O)c2C#N)CCC3)cc1
InChIInChI=1S/C16H14N2O/c1-10-5-7-11(8-6-10)15-12-3-2-4-14(12)18-16(19)13(15)9-17/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyVZNNNTJXYYVLNI-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.71
Rot. Bonds1

About 4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile

4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile (PubChem CID 82087393) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
PubChem CID82087393
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
SMILESCc1ccc(-c2c3c([nH]c(=O)c2C#N)CCC3)cc1
InChIInChI=1S/C16H14N2O/c1-10-5-7-11(8-6-10)15-12-3-2-4-14(12)18-16(19)13(15)9-17/h5-8H,2-4H2,1H3,(H,18,19)
InChIKeyVZNNNTJXYYVLNI-UHFFFAOYSA-N
XLogP2.71
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile (CID 82087393) is 4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile is Cc1ccc(-c2c3c([nH]c(=O)c2C#N)CCC3)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is VZNNNTJXYYVLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-5-7-11(8-6-10)15-12-3-2-4-14(12)18-16(19)13(15)9-17/h5-8H,2-4H2,1H3,(H,18,19).
What are the key properties of 4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile?
4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 250.30 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 82087393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).