2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide

C11H15F3N4 — CID 55010418

IUPAC2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCC)CC(F)(F)F)c1
InChIInChI=1S/C11H15F3N4/c1-2-5-18(7-11(12,13)14)9-6-8(10(15)16)3-4-17-9/h3-4,6H,2,5,7H2,1H3,(H3,15,16)
InChIKeyJAJPGGDDLDRBNX-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.14
Rot. Bonds5

About 2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide

2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide (PubChem CID 55010418) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
PubChem CID55010418
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCC)CC(F)(F)F)c1
InChIInChI=1S/C11H15F3N4/c1-2-5-18(7-11(12,13)14)9-6-8(10(15)16)3-4-17-9/h3-4,6H,2,5,7H2,1H3,(H3,15,16)
InChIKeyJAJPGGDDLDRBNX-UHFFFAOYSA-N
XLogP2.14
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.14
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-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide (CID 55010418) is 2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CCC)CC(F)(F)F)c1.
What is the InChIKey of 2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide?
The InChIKey is JAJPGGDDLDRBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-2-5-18(7-11(12,13)14)9-6-8(10(15)16)3-4-17-9/h3-4,6H,2,5,7H2,1H3,(H3,15,16).
What are the key properties of 2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide?
2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide has a molecular weight of 260.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 55010418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).