1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile

C15H20N2O — CID 79885659

IUPAC1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile
SMILESCc1cc(=O)cc(C)n1C1(C#N)CCC(C)CC1
InChIInChI=1S/C15H20N2O/c1-11-4-6-15(10-16,7-5-11)17-12(2)8-14(18)9-13(17)3/h8-9,11H,4-7H2,1-3H3
InChIKeySHNPAPJTXFYLHG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.89
Rot. Bonds1

About 1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile

1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile (PubChem CID 79885659) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile
PubChem CID79885659
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile
SMILESCc1cc(=O)cc(C)n1C1(C#N)CCC(C)CC1
InChIInChI=1S/C15H20N2O/c1-11-4-6-15(10-16,7-5-11)17-12(2)8-14(18)9-13(17)3/h8-9,11H,4-7H2,1-3H3
InChIKeySHNPAPJTXFYLHG-UHFFFAOYSA-N
XLogP2.89
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile (CID 79885659) is 1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile is Cc1cc(=O)cc(C)n1C1(C#N)CCC(C)CC1.
What is the InChIKey of 1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile?
The InChIKey is SHNPAPJTXFYLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-4-6-15(10-16,7-5-11)17-12(2)8-14(18)9-13(17)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile?
1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-oxo-1-pyridinyl)-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 79885659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).