4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide

C17H12F3N5O — CID 71711844

IUPAC4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)13-6-5-11(7-23-13)14-15(21)24-8-12(25-14)9-1-3-10(4-2-9)16(22)26/h1-8H,(H2,21,24)(H2,22,26)
InChIKeyFRVNCQOSGYBWDN-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.91
Rot. Bonds3

About 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide

4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide (PubChem CID 71711844) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide
PubChem CID71711844
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)13-6-5-11(7-23-13)14-15(21)24-8-12(25-14)9-1-3-10(4-2-9)16(22)26/h1-8H,(H2,21,24)(H2,22,26)
InChIKeyFRVNCQOSGYBWDN-UHFFFAOYSA-N
XLogP2.91
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide (CID 71711844) is 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide is NC(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1.
What is the InChIKey of 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide?
The InChIKey is FRVNCQOSGYBWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-17(19,20)13-6-5-11(7-23-13)14-15(21)24-8-12(25-14)9-1-3-10(4-2-9)16(22)26/h1-8H,(H2,21,24)(H2,22,26).
What are the key properties of 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide?
4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide has a molecular weight of 359.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 71711844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).