2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide

C17H20F3N5O3 — CID 174836824

IUPAC2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
SMILESCC(=O)NC1(C(=O)N(C)Cc2cnc(OCC(F)(F)F)c(C)c2)C=NC=CN1
InChIInChI=1S/C17H20F3N5O3/c1-11-6-13(7-22-14(11)28-10-17(18,19)20)8-25(3)15(27)16(24-12(2)26)9-21-4-5-23-16/h4-7,9,23H,8,10H2,1-3H3,(H,24,26)
InChIKeyBKDGSXLFINHOON-UHFFFAOYSA-N
MW399.37 g/mol
LogP1.27
Rot. Bonds6

About 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide

2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide (PubChem CID 174836824) has the molecular formula C17H20F3N5O3 and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
PubChem CID174836824
Molecular FormulaC17H20F3N5O3
Molecular Weight399.37 g/mol
Exact Mass399.15
IUPAC Name2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide
SMILESCC(=O)NC1(C(=O)N(C)Cc2cnc(OCC(F)(F)F)c(C)c2)C=NC=CN1
InChIInChI=1S/C17H20F3N5O3/c1-11-6-13(7-22-14(11)28-10-17(18,19)20)8-25(3)15(27)16(24-12(2)26)9-21-4-5-23-16/h4-7,9,23H,8,10H2,1-3H3,(H,24,26)
InChIKeyBKDGSXLFINHOON-UHFFFAOYSA-N
XLogP1.27
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide?
The IUPAC name of 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide (CID 174836824) is 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide.
What is the SMILES notation for 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide?
The canonical SMILES for 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide is CC(=O)NC1(C(=O)N(C)Cc2cnc(OCC(F)(F)F)c(C)c2)C=NC=CN1.
What is the InChIKey of 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide?
The InChIKey is BKDGSXLFINHOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O3/c1-11-6-13(7-22-14(11)28-10-17(18,19)20)8-25(3)15(27)16(24-12(2)26)9-21-4-5-23-16/h4-7,9,23H,8,10H2,1-3H3,(H,24,26).
What are the key properties of 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide?
2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide has a molecular weight of 399.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 174836824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).