3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine

C15H15F5N4 — CID 167753173

IUPAC3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1nc(C(F)(F)F)ccc1CNc1cncc(C(F)F)c1
InChIInChI=1S/C15H15F5N4/c1-24(2)14-9(3-4-12(23-14)15(18,19)20)7-22-11-5-10(13(16)17)6-21-8-11/h3-6,8,13,22H,7H2,1-2H3
InChIKeyDERYZXFFINPJOU-UHFFFAOYSA-N
MW346.30 g/mol
LogP4.11
Rot. Bonds5

About 3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine

3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 167753173) has the molecular formula C15H15F5N4 and a molecular weight of 346.30 g/mol. Its IUPAC name is 3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine
PubChem CID167753173
Molecular FormulaC15H15F5N4
Molecular Weight346.30 g/mol
Exact Mass346.12
IUPAC Name3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine
SMILESCN(C)c1nc(C(F)(F)F)ccc1CNc1cncc(C(F)F)c1
InChIInChI=1S/C15H15F5N4/c1-24(2)14-9(3-4-12(23-14)15(18,19)20)7-22-11-5-10(13(16)17)6-21-8-11/h3-6,8,13,22H,7H2,1-2H3
InChIKeyDERYZXFFINPJOU-UHFFFAOYSA-N
XLogP4.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine 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 3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine (CID 167753173) is 3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine is CN(C)c1nc(C(F)(F)F)ccc1CNc1cncc(C(F)F)c1.
What is the InChIKey of 3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DERYZXFFINPJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F5N4/c1-24(2)14-9(3-4-12(23-14)15(18,19)20)7-22-11-5-10(13(16)17)6-21-8-11/h3-6,8,13,22H,7H2,1-2H3.
What are the key properties of 3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine?
3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 346.30 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-(difluoromethyl)-3-pyridinyl]amino]methyl]-N,N-dimethyl-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 167753173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).