6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile

C14H17N3O — CID 79120279

IUPAC6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N(C)C2CCC(=O)CC2)n1
InChIInChI=1S/C14H17N3O/c1-10-3-4-11(9-15)14(16-10)17(2)12-5-7-13(18)8-6-12/h3-4,12H,5-8H2,1-2H3
InChIKeyYTIOADAAOYVKNO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.21
Rot. Bonds2

About 6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile

6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile (PubChem CID 79120279) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile
PubChem CID79120279
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N(C)C2CCC(=O)CC2)n1
InChIInChI=1S/C14H17N3O/c1-10-3-4-11(9-15)14(16-10)17(2)12-5-7-13(18)8-6-12/h3-4,12H,5-8H2,1-2H3
InChIKeyYTIOADAAOYVKNO-UHFFFAOYSA-N
XLogP2.21
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile (CID 79120279) is 6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile is Cc1ccc(C#N)c(N(C)C2CCC(=O)CC2)n1.
What is the InChIKey of 6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile?
The InChIKey is YTIOADAAOYVKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-3-4-11(9-15)14(16-10)17(2)12-5-7-13(18)8-6-12/h3-4,12H,5-8H2,1-2H3.
What are the key properties of 6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile?
6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile has a molecular weight of 243.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[methyl-(4-oxocyclohexyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 79120279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).