2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C11H13F3N4 — CID 79877084

IUPAC2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCC(N)CNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H13F3N4/c1-2-8(16)6-17-10-7(5-15)3-4-9(18-10)11(12,13)14/h3-4,8H,2,6,16H2,1H3,(H,17,18)
InChIKeyZTCXLMUZZRTNIR-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79877084) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79877084
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCC(N)CNc1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C11H13F3N4/c1-2-8(16)6-17-10-7(5-15)3-4-9(18-10)11(12,13)14/h3-4,8H,2,6,16H2,1H3,(H,17,18)
InChIKeyZTCXLMUZZRTNIR-UHFFFAOYSA-N
XLogP2.12
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
2-(2,3-dihydroxypropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877007
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-(3-methylbut-2-enylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103525261
2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 113236782
2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
2-[(4-methoxy-2,2-dimethylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 104624076
N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 78966293
N-tert-butyl-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 78965975
4-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylbutanoic acid
CID 80539504
2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966966
2-[[1-[(2S)-2-aminopropyl]triazol-4-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 167790647

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79877084) is 2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is CCC(N)CNc1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ZTCXLMUZZRTNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-2-8(16)6-17-10-7(5-15)3-4-9(18-10)11(12,13)14/h3-4,8H,2,6,16H2,1H3,(H,17,18).
What are the key properties of 2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 258.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79877084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).