4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile

C16H23N3 — CID 81060620

IUPAC4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(C)C2CCCCCC2)c(C#N)c(C)n1
InChIInChI=1S/C16H23N3/c1-12-10-16(15(11-17)13(2)18-12)19(3)14-8-6-4-5-7-9-14/h10,14H,4-9H2,1-3H3
InChIKeyGEZOGKLBZFRZSE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.73
Rot. Bonds2

About 4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile

4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060620) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060620
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N(C)C2CCCCCC2)c(C#N)c(C)n1
InChIInChI=1S/C16H23N3/c1-12-10-16(15(11-17)13(2)18-12)19(3)14-8-6-4-5-7-9-14/h10,14H,4-9H2,1-3H3
InChIKeyGEZOGKLBZFRZSE-UHFFFAOYSA-N
XLogP3.73
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile (CID 81060620) is 4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N(C)C2CCCCCC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is GEZOGKLBZFRZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-10-16(15(11-17)13(2)18-12)19(3)14-8-6-4-5-7-9-14/h10,14H,4-9H2,1-3H3.
What are the key properties of 4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).