2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile

C15H20N2O — CID 4626504

IUPAC2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile
SMILESCCCC1CCC(C2=NC(=O)C(C#N)C=C2)CC1
InChIInChI=1S/C15H20N2O/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(10-16)15(18)17-14/h8-9,11-13H,2-7H2,1H3
InChIKeyZVLJNJNOSOFJOH-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.27
Rot. Bonds3

About 2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile

2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile (PubChem CID 4626504) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile
PubChem CID4626504
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile
SMILESCCCC1CCC(C2=NC(=O)C(C#N)C=C2)CC1
InChIInChI=1S/C15H20N2O/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(10-16)15(18)17-14/h8-9,11-13H,2-7H2,1H3
InChIKeyZVLJNJNOSOFJOH-UHFFFAOYSA-N
XLogP3.27
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile (CID 4626504) is 2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile is CCCC1CCC(C2=NC(=O)C(C#N)C=C2)CC1.
What is the InChIKey of 2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile?
The InChIKey is ZVLJNJNOSOFJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-3-11-4-6-12(7-5-11)14-9-8-13(10-16)15(18)17-14/h8-9,11-13H,2-7H2,1H3.
What are the key properties of 2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile?
2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-(4-propylcyclohexyl)-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 4626504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).