2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C15H18F3N3 — CID 78966016

IUPAC2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(c1nc(C(F)(F)F)ccc1C#N)C1CCCCCC1
InChIInChI=1S/C15H18F3N3/c1-21(12-6-4-2-3-5-7-12)14-11(10-19)8-9-13(20-14)15(16,17)18/h8-9,12H,2-7H2,1H3
InChIKeyKLMKANJPDLDGTB-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.13
Rot. Bonds2

About 2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966016) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966016
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCN(c1nc(C(F)(F)F)ccc1C#N)C1CCCCCC1
InChIInChI=1S/C15H18F3N3/c1-21(12-6-4-2-3-5-7-12)14-11(10-19)8-9-13(20-14)15(16,17)18/h8-9,12H,2-7H2,1H3
InChIKeyKLMKANJPDLDGTB-UHFFFAOYSA-N
XLogP4.13
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(2-hydroxyethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875315
2-[methyl(pyrrolidin-2-ylmethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106618416
2-[cyclopropylmethyl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966717
2-[methyl(pentan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966431
2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965942
2-(dipropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873372
4-[cyclopentyl(methyl)amino]-2-(trifluoromethyl)benzonitrile
CID 11521859
2-[azetidin-3-yl(ethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876676
2-[propan-2-yl(propyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79869680
2-[cyclopentyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940936
2-(2-ethylazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 104689822
propan-2-yl 2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]-methylamino]propanoate
CID 133367282

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966016) is 2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CN(c1nc(C(F)(F)F)ccc1C#N)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is KLMKANJPDLDGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-21(12-6-4-2-3-5-7-12)14-11(10-19)8-9-13(20-14)15(16,17)18/h8-9,12H,2-7H2,1H3.
What are the key properties of 2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 297.32 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).