5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide

C14H13F3N4O — CID 47829593

IUPAC5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccccc2NCC(F)(F)F)cn1
InChIInChI=1S/C14H13F3N4O/c1-9-6-19-12(7-18-9)13(22)21-11-5-3-2-4-10(11)20-8-14(15,16)17/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyAPJLDIOVLUQZJJ-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.01
Rot. Bonds4

About 5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide

5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide (PubChem CID 47829593) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is 5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide
PubChem CID47829593
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccccc2NCC(F)(F)F)cn1
InChIInChI=1S/C14H13F3N4O/c1-9-6-19-12(7-18-9)13(22)21-11-5-3-2-4-10(11)20-8-14(15,16)17/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyAPJLDIOVLUQZJJ-UHFFFAOYSA-N
XLogP3.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86814979
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CID 52560390
N-(2-carbamoylphenyl)-5-methylpyrazine-2-carboxamide
CID 27687729
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943
5-methyl-N-(2-propoxyphenyl)pyrazine-2-carboxamide
CID 17446893
5-methyl-N-[2-(methylsulfinylmethyl)phenyl]pyrazine-2-carboxamide
CID 75477995
N-(3-amino-2-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 16788765
N-[2-(3-aminoprop-1-ynyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 62201045
4-[[2-(2,2,2-trifluoroethylamino)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 167914964
3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740393
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide (CID 47829593) is 5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccccc2NCC(F)(F)F)cn1.
What is the InChIKey of 5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide?
The InChIKey is APJLDIOVLUQZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c1-9-6-19-12(7-18-9)13(22)21-11-5-3-2-4-10(11)20-8-14(15,16)17/h2-7,20H,8H2,1H3,(H,21,22).
What are the key properties of 5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide?
5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 47829593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).