2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide

C13H19F3N4O — CID 79873826

IUPAC2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C13H19F3N4O/c1-2-3-6-20(8-11(18)21)12-9(7-17)4-5-10(19-12)13(14,15)16/h4-5H,2-3,6-8,17H2,1H3,(H2,18,21)
InChIKeyURAPKYXACAAAHG-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.65
Rot. Bonds7

About 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide

2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide (PubChem CID 79873826) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide
PubChem CID79873826
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C13H19F3N4O/c1-2-3-6-20(8-11(18)21)12-9(7-17)4-5-10(19-12)13(14,15)16/h4-5H,2-3,6-8,17H2,1H3,(H2,18,21)
InChIKeyURAPKYXACAAAHG-UHFFFAOYSA-N
XLogP1.65
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine
CID 71503747
2-[[4-(aminomethyl)pyridazin-3-yl]-butylamino]acetamide
CID 80508966
N'-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991313
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide
CID 79869188
3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
CID 79873820
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide
CID 79873585
3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine
CID 79869057
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
CID 106919288
2-[[6-(aminomethyl)-3-pyridinyl]-butylamino]acetamide
CID 115486965
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582
2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106771446
2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide?
The IUPAC name of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide (CID 79873826) is 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide?
The canonical SMILES for 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide is CCCCN(CC(N)=O)c1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide?
The InChIKey is URAPKYXACAAAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-3-6-20(8-11(18)21)12-9(7-17)4-5-10(19-12)13(14,15)16/h4-5H,2-3,6-8,17H2,1H3,(H2,18,21).
What are the key properties of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide?
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide has a molecular weight of 304.32 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide is sourced from PubChem (CID 79873826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).