2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C12H15F3N4O — CID 103577515

IUPAC2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CC1N
InChIInChI=1S/C12H15F3N4O/c1-6-4-19(5-8(6)16)11-7(10(17)20)2-3-9(18-11)12(13,14)15/h2-3,6,8H,4-5,16H2,1H3,(H2,17,20)
InChIKeyZYFZFBIWNWCFOZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP0.98
Rot. Bonds2

About 2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 103577515) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID103577515
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CC1N
InChIInChI=1S/C12H15F3N4O/c1-6-4-19(5-8(6)16)11-7(10(17)20)2-3-9(18-11)12(13,14)15/h2-3,6,8H,4-5,16H2,1H3,(H2,17,20)
InChIKeyZYFZFBIWNWCFOZ-UHFFFAOYSA-N
XLogP0.98
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 103577515) is 2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is CC1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CC1N.
What is the InChIKey of 2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZYFZFBIWNWCFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-6-4-19(5-8(6)16)11-7(10(17)20)2-3-9(18-11)12(13,14)15/h2-3,6,8H,4-5,16H2,1H3,(H2,17,20).
What are the key properties of 2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103577515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).