3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

C17H12F3N5O2 — CID 59471925

IUPAC3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccnc2)nc1C(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H12F3N5O2/c18-17(19,20)27-13-6-2-1-5-11(13)25-16(26)14-15(21)23-9-12(24-14)10-4-3-7-22-8-10/h1-9H,(H2,21,23)(H,25,26)
InChIKeyQKJOTQGMOCYHHN-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.27
Rot. Bonds4

About 3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 59471925) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID59471925
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESNc1ncc(-c2cccnc2)nc1C(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C17H12F3N5O2/c18-17(19,20)27-13-6-2-1-5-11(13)25-16(26)14-15(21)23-9-12(24-14)10-4-3-7-22-8-10/h1-9H,(H2,21,23)(H,25,26)
InChIKeyQKJOTQGMOCYHHN-UHFFFAOYSA-N
XLogP3.27
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (CID 59471925) is 3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is Nc1ncc(-c2cccnc2)nc1C(=O)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is QKJOTQGMOCYHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c18-17(19,20)27-13-6-2-1-5-11(13)25-16(26)14-15(21)23-9-12(24-14)10-4-3-7-22-8-10/h1-9H,(H2,21,23)(H,25,26).
What are the key properties of 3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 375.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-pyridin-3-yl-N-[2-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 59471925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).