4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide

C15H15F3N4O — CID 122567554

IUPAC4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCNc1nccnc1-c1ccc(C(=O)NC(C)C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N4O/c1-9(15(16,17)18)22-14(23)11-5-3-10(4-6-11)12-13(19-2)21-8-7-20-12/h3-9H,1-2H3,(H,19,21)(H,22,23)
InChIKeyUSENJYMSXKFGIW-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.87
Rot. Bonds4

About 4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide

4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide (PubChem CID 122567554) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide
PubChem CID122567554
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide
SMILESCNc1nccnc1-c1ccc(C(=O)NC(C)C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N4O/c1-9(15(16,17)18)22-14(23)11-5-3-10(4-6-11)12-13(19-2)21-8-7-20-12/h3-9H,1-2H3,(H,19,21)(H,22,23)
InChIKeyUSENJYMSXKFGIW-UHFFFAOYSA-N
XLogP2.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide 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 4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The IUPAC name of 4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide (CID 122567554) is 4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide.
What is the SMILES notation for 4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The canonical SMILES for 4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide is CNc1nccnc1-c1ccc(C(=O)NC(C)C(F)(F)F)cc1.
What is the InChIKey of 4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
The InChIKey is USENJYMSXKFGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-9(15(16,17)18)22-14(23)11-5-3-10(4-6-11)12-13(19-2)21-8-7-20-12/h3-9H,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide?
4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide has a molecular weight of 324.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)pyrazin-2-yl]-N-(1,1,1-trifluoropropan-2-yl)benzamide is sourced from PubChem (CID 122567554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).