6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide

C16H16F3N3O2 — CID 174811246

IUPAC6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC(C)c2cccc(OCC(F)(F)F)c2)n1
InChIInChI=1S/C16H16F3N3O2/c1-10-7-20-8-14(21-10)15(23)22-11(2)12-4-3-5-13(6-12)24-9-16(17,18)19/h3-8,11H,9H2,1-2H3,(H,22,23)
InChIKeyCWRUATIHEXXCIW-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.22
Rot. Bonds5

About 6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide

6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 174811246) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID174811246
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NC(C)c2cccc(OCC(F)(F)F)c2)n1
InChIInChI=1S/C16H16F3N3O2/c1-10-7-20-8-14(21-10)15(23)22-11(2)12-4-3-5-13(6-12)24-9-16(17,18)19/h3-8,11H,9H2,1-2H3,(H,22,23)
InChIKeyCWRUATIHEXXCIW-UHFFFAOYSA-N
XLogP3.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 162622088
2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 151094917
2-(3-methyl-2-oxobutyl)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 159341282
2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 67508998
(3R)-3-hydroxy-4-methyl-N-[(1S)-1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(trifluoromethyl)pentanamide
CID 139414577
6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 174836862
2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 174811433
N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 162573502
5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225
2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 81373961
N-benzhydryl-6-methylpyrazine-2-carboxamide
CID 146075272
2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811038

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide (CID 174811246) is 6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide is Cc1cncc(C(=O)NC(C)c2cccc(OCC(F)(F)F)c2)n1.
What is the InChIKey of 6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is CWRUATIHEXXCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10-7-20-8-14(21-10)15(23)22-11(2)12-4-3-5-13(6-12)24-9-16(17,18)19/h3-8,11H,9H2,1-2H3,(H,22,23).
What are the key properties of 6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 174811246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).