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

C12H17F3N4O — CID 79869188

IUPAC2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C12H17F3N4O/c1-18(2)10(20)7-19(3)11-8(6-16)4-5-9(17-11)12(13,14)15/h4-5H,6-7,16H2,1-3H3
InChIKeyDGMLUGFJKRJDMM-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.08
Rot. Bonds4

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

2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide (PubChem CID 79869188) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide
PubChem CID79869188
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C12H17F3N4O/c1-18(2)10(20)7-19(3)11-8(6-16)4-5-9(17-11)12(13,14)15/h4-5H,6-7,16H2,1-3H3
InChIKeyDGMLUGFJKRJDMM-UHFFFAOYSA-N
XLogP1.08
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-propylacetamide
CID 79873585
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-butylamino]acetamide
CID 79873826
3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-6-(trifluoromethyl)pyridin-2-amine
CID 79869057
3-(aminomethyl)-N,N-dibutyl-6-(trifluoromethyl)pyridin-2-amine
CID 71503747
3-(aminomethyl)-N-methyl-N-(oxan-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 79873857
acetic acid;[2-ethoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 171929343
N'-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991313
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 114562244
3-(aminomethyl)-N-pentyl-N-propan-2-yl-6-(trifluoromethyl)pyridin-2-amine
CID 79873820
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875830
[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 119054456
2-[butan-2-yl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868936

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide (CID 79869188) is 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is DGMLUGFJKRJDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-18(2)10(20)7-19(3)11-8(6-16)4-5-9(17-11)12(13,14)15/h4-5H,6-7,16H2,1-3H3.
What are the key properties of 2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide?
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 290.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 79869188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).