2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile

C14H20N4 — CID 114770152

IUPAC2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
SMILESCNC1CCC(Nc2cc(C#N)cc(C)n2)CC1
InChIInChI=1S/C14H20N4/c1-10-7-11(9-15)8-14(17-10)18-13-5-3-12(16-2)4-6-13/h7-8,12-13,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyAOWFEJCUNOMRCW-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.20
Rot. Bonds3

About 2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile

2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile (PubChem CID 114770152) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
PubChem CID114770152
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
SMILESCNC1CCC(Nc2cc(C#N)cc(C)n2)CC1
InChIInChI=1S/C14H20N4/c1-10-7-11(9-15)8-14(17-10)18-13-5-3-12(16-2)4-6-13/h7-8,12-13,16H,3-6H2,1-2H3,(H,17,18)
InChIKeyAOWFEJCUNOMRCW-UHFFFAOYSA-N
XLogP2.20
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile (CID 114770152) is 2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile is CNC1CCC(Nc2cc(C#N)cc(C)n2)CC1.
What is the InChIKey of 2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
The InChIKey is AOWFEJCUNOMRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-7-11(9-15)8-14(17-10)18-13-5-3-12(16-2)4-6-13/h7-8,12-13,16H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 114770152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).