2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile

C25H24N2O — CID 44514848

IUPAC2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
SMILESCC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C25H24N2O/c1-16(2)17-7-10-19(11-8-17)22-14-24(27-25(28)23(22)15-26)21-12-9-18-5-3-4-6-20(18)13-21/h7-14,16H,3-6H2,1-2H3,(H,27,28)
InChIKeyILFFOLYUJUJOTM-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.58
Rot. Bonds3

About 2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile

2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile (PubChem CID 44514848) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
PubChem CID44514848
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile
SMILESCC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C25H24N2O/c1-16(2)17-7-10-19(11-8-17)22-14-24(27-25(28)23(22)15-26)21-12-9-18-5-3-4-6-20(18)13-21/h7-14,16H,3-6H2,1-2H3,(H,27,28)
InChIKeyILFFOLYUJUJOTM-UHFFFAOYSA-N
XLogP5.58
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile (CID 44514848) is 2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile is CC(C)c1ccc(-c2cc(-c3ccc4c(c3)CCCC4)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
The InChIKey is ILFFOLYUJUJOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-16(2)17-7-10-19(11-8-17)22-14-24(27-25(28)23(22)15-26)21-12-9-18-5-3-4-6-20(18)13-21/h7-14,16H,3-6H2,1-2H3,(H,27,28).
What are the key properties of 2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile?
2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile has a molecular weight of 368.48 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(4-propan-2-ylphenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 44514848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).