2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile

C15H21N3 — CID 64734058

IUPAC2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C15H21N3/c1-10-6-11(2)8-14(7-10)18-15-13(9-16)5-4-12(3)17-15/h4-5,10-11,14H,6-8H2,1-3H3,(H,17,18)
InChIKeyZQJZCLIPMVGYOA-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.50
Rot. Bonds2

About 2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile

2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile (PubChem CID 64734058) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile
PubChem CID64734058
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2CC(C)CC(C)C2)n1
InChIInChI=1S/C15H21N3/c1-10-6-11(2)8-14(7-10)18-15-13(9-16)5-4-12(3)17-15/h4-5,10-11,14H,6-8H2,1-3H3,(H,17,18)
InChIKeyZQJZCLIPMVGYOA-UHFFFAOYSA-N
XLogP3.50
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile (CID 64734058) is 2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NC2CC(C)CC(C)C2)n1.
What is the InChIKey of 2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile?
The InChIKey is ZQJZCLIPMVGYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-6-11(2)8-14(7-10)18-15-13(9-16)5-4-12(3)17-15/h4-5,10-11,14H,6-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile?
2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 64734058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).