2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide

C13H17F3N4 — CID 79877127

IUPAC2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CC1CC1C
InChIInChI=1S/C13H17F3N4/c1-7-5-8(7)6-20(2)12-9(11(17)18)3-4-10(19-12)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3,(H3,17,18)
InChIKeyCMYOGCLPAXYQTQ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.48
Rot. Bonds4

About 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide

2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877127) has the molecular formula C13H17F3N4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877127
Molecular FormulaC13H17F3N4
Molecular Weight286.30 g/mol
Exact Mass286.14
IUPAC Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CC1CC1C
InChIInChI=1S/C13H17F3N4/c1-7-5-8(7)6-20(2)12-9(11(17)18)3-4-10(19-12)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3,(H3,17,18)
InChIKeyCMYOGCLPAXYQTQ-UHFFFAOYSA-N
XLogP2.48
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877127) is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CC1CC1C.
What is the InChIKey of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is CMYOGCLPAXYQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4/c1-7-5-8(7)6-20(2)12-9(11(17)18)3-4-10(19-12)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3,(H3,17,18).
What are the key properties of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 286.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).