3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

C13H13F3N4 — CID 71503746

IUPAC3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESNCc1ccc(C(F)(F)F)nc1NCc1ccncc1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)11-2-1-10(7-17)12(20-11)19-8-9-3-5-18-6-4-9/h1-6H,7-8,17H2,(H,19,20)
InChIKeyZCBHPRYORKOOPZ-UHFFFAOYSA-N
MW282.27 g/mol
LogP2.57
Rot. Bonds4

About 3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 71503746) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID71503746
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESNCc1ccc(C(F)(F)F)nc1NCc1ccncc1
InChIInChI=1S/C13H13F3N4/c14-13(15,16)11-2-1-10(7-17)12(20-11)19-8-9-3-5-18-6-4-9/h1-6H,7-8,17H2,(H,19,20)
InChIKeyZCBHPRYORKOOPZ-UHFFFAOYSA-N
XLogP2.57
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
[2-(pyridin-4-ylmethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873449
2-N-benzyl-6-(trifluoromethyl)pyridine-2,3-diamine
CID 90937044
2-[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 79869327
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 71503662
[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 119054456
2-(benzylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876068
[4-[[[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl] hydrogen carbonate
CID 140513825
[2-[(4-tert-butylphenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 58873264
[2-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79876668
N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 60918879
4-(aminomethyl)-N-benzylpyridazin-3-amine
CID 14042752

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 71503746) is 3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is NCc1ccc(C(F)(F)F)nc1NCc1ccncc1.
What is the InChIKey of 3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZCBHPRYORKOOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c14-13(15,16)11-2-1-10(7-17)12(20-11)19-8-9-3-5-18-6-4-9/h1-6H,7-8,17H2,(H,19,20).
What are the key properties of 3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 282.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(pyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 71503746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).