2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide

C13H19F3N4O — CID 79873585

IUPAC2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C13H19F3N4O/c1-3-6-18-11(21)8-20(2)12-9(7-17)4-5-10(19-12)13(14,15)16/h4-5H,3,6-8,17H2,1-2H3,(H,18,21)
InChIKeyKGVLHERMHXFLJA-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.52
Rot. Bonds6

About 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide

2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide (PubChem CID 79873585) 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]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide
PubChem CID79873585
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C13H19F3N4O/c1-3-6-18-11(21)8-20(2)12-9(7-17)4-5-10(19-12)13(14,15)16/h4-5H,3,6-8,17H2,1-2H3,(H,18,21)
InChIKeyKGVLHERMHXFLJA-UHFFFAOYSA-N
XLogP1.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide
CID 79869188
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide
CID 79873826
2-[2-(aminomethyl)-5-chloro-N-methylanilino]-N-propylacetamide
CID 55180596
3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine
CID 71503747
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-propylacetamide
CID 81132684
2-[(3-aminoquinoxalin-2-yl)-methylamino]-N-propylacetamide
CID 102985844
2-[(6-amino-3,5-difluoro-2-pyridinyl)-methylamino]-N-propylacetamide
CID 114074255
3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine
CID 79869057
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-N-propylacetamide
CID 107113242
N'-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991313
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808785
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide (CID 79873585) is 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide?
The InChIKey is KGVLHERMHXFLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-6-18-11(21)8-20(2)12-9(7-17)4-5-10(19-12)13(14,15)16/h4-5H,3,6-8,17H2,1-2H3,(H,18,21).
What are the key properties of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide?
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide has a molecular weight of 304.32 g/mol, XLogP of 1.52, 6 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]-methylamino]-N-propylacetamide is sourced from PubChem (CID 79873585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).