N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide

C17H19F3N6O — CID 122254319

IUPACN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
SMILESCN(C)c1nc(CNC(=O)c2ccc(F)c(F)c2F)nc(N2CCCC2)n1
InChIInChI=1S/C17H19F3N6O/c1-25(2)16-22-12(23-17(24-16)26-7-3-4-8-26)9-21-15(27)10-5-6-11(18)14(20)13(10)19/h5-6H,3-4,7-9H2,1-2H3,(H,21,27)
InChIKeyHVAWCEWZDPVHJJ-UHFFFAOYSA-N
MW380.37 g/mol
LogP1.89
Rot. Bonds5

About N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide

N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide (PubChem CID 122254319) has the molecular formula C17H19F3N6O and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
PubChem CID122254319
Molecular FormulaC17H19F3N6O
Molecular Weight380.37 g/mol
Exact Mass380.16
IUPAC NameN-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide
SMILESCN(C)c1nc(CNC(=O)c2ccc(F)c(F)c2F)nc(N2CCCC2)n1
InChIInChI=1S/C17H19F3N6O/c1-25(2)16-22-12(23-17(24-16)26-7-3-4-8-26)9-21-15(27)10-5-6-11(18)14(20)13(10)19/h5-6H,3-4,7-9H2,1-2H3,(H,21,27)
InChIKeyHVAWCEWZDPVHJJ-UHFFFAOYSA-N
XLogP1.89
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide 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 N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide (CID 122254319) is N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide is CN(C)c1nc(CNC(=O)c2ccc(F)c(F)c2F)nc(N2CCCC2)n1.
What is the InChIKey of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide?
The InChIKey is HVAWCEWZDPVHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O/c1-25(2)16-22-12(23-17(24-16)26-7-3-4-8-26)9-21-15(27)10-5-6-11(18)14(20)13(10)19/h5-6H,3-4,7-9H2,1-2H3,(H,21,27).
What are the key properties of N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide?
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide has a molecular weight of 380.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 122254319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).