2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide

C21H20F3N5O2 — CID 11026399

IUPAC2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide
SMILESCc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ncccc1F
InChIInChI=1S/C21H20F3N5O2/c1-14-10-27-19(28-13-21(23,24)15-6-3-2-4-7-15)20(31)29(14)12-18(30)26-11-17-16(22)8-5-9-25-17/h2-10H,11-13H2,1H3,(H,26,30)(H,27,28)
InChIKeyUPYFICZRANWLAQ-UHFFFAOYSA-N
MW431.42 g/mol
LogP2.61
Rot. Bonds8

About 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide

2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide (PubChem CID 11026399) has the molecular formula C21H20F3N5O2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide
PubChem CID11026399
Molecular FormulaC21H20F3N5O2
Molecular Weight431.42 g/mol
Exact Mass431.16
IUPAC Name2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide
SMILESCc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ncccc1F
InChIInChI=1S/C21H20F3N5O2/c1-14-10-27-19(28-13-21(23,24)15-6-3-2-4-7-15)20(31)29(14)12-18(30)26-11-17-16(22)8-5-9-25-17/h2-10H,11-13H2,1H3,(H,26,30)(H,27,28)
InChIKeyUPYFICZRANWLAQ-UHFFFAOYSA-N
XLogP2.61
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide 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-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide (CID 11026399) is 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide is Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1ncccc1F.
What is the InChIKey of 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide?
The InChIKey is UPYFICZRANWLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O2/c1-14-10-27-19(28-13-21(23,24)15-6-3-2-4-7-15)20(31)29(14)12-18(30)26-11-17-16(22)8-5-9-25-17/h2-10H,11-13H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide?
2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide has a molecular weight of 431.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 11026399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).