3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide

C16H17BrF3N5O — CID 58442324

IUPAC3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCN(C)C(CNC(=O)c1nc(Br)c(C(F)(F)F)nc1N)c1ccccc1
InChIInChI=1S/C16H17BrF3N5O/c1-25(2)10(9-6-4-3-5-7-9)8-22-15(26)11-14(21)24-12(13(17)23-11)16(18,19)20/h3-7,10H,8H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyIOLSICHRAYNZDH-UHFFFAOYSA-N
MW432.24 g/mol
LogP2.87
Rot. Bonds5

About 3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide

3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 58442324) has the molecular formula C16H17BrF3N5O and a molecular weight of 432.24 g/mol. Its IUPAC name is 3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID58442324
Molecular FormulaC16H17BrF3N5O
Molecular Weight432.24 g/mol
Exact Mass431.06
IUPAC Name3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCN(C)C(CNC(=O)c1nc(Br)c(C(F)(F)F)nc1N)c1ccccc1
InChIInChI=1S/C16H17BrF3N5O/c1-25(2)10(9-6-4-3-5-7-9)8-22-15(26)11-14(21)24-12(13(17)23-11)16(18,19)20/h3-7,10H,8H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyIOLSICHRAYNZDH-UHFFFAOYSA-N
XLogP2.87
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.24
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[(2R)-2-(dimethylamino)-2-phenylethyl]isoquinoline-1-carboxamide
CID 52821972
3-amino-N-[2-(dimethylamino)-2-phenylethyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794723
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444
N-[2-(dimethylamino)-2-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 43001663
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]-4-(trifluoromethyl)benzamide
CID 8701479
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-(trifluoromethyl)benzamide
CID 43956057
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 27229975
N-[2-(diethylamino)-2-phenylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008611

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide (CID 58442324) is 3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is CN(C)C(CNC(=O)c1nc(Br)c(C(F)(F)F)nc1N)c1ccccc1.
What is the InChIKey of 3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is IOLSICHRAYNZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrF3N5O/c1-25(2)10(9-6-4-3-5-7-9)8-22-15(26)11-14(21)24-12(13(17)23-11)16(18,19)20/h3-7,10H,8H2,1-2H3,(H2,21,24)(H,22,26).
What are the key properties of 3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide?
3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 432.24 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-N-[2-(dimethylamino)-2-phenylethyl]-5-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 58442324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).