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

C15H15F3N4O2 — CID 174836820

IUPAC3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)c(C)n1
InChIInChI=1S/C15H15F3N4O2/c1-9-5-20-13(10(2)22-9)14(23)21-7-11-3-4-12(19-6-11)24-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H,21,23)
InChIKeyKJPNEAWTMMIWHX-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.36
Rot. Bonds5

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

3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide (PubChem CID 174836820) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
PubChem CID174836820
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)c(C)n1
InChIInChI=1S/C15H15F3N4O2/c1-9-5-20-13(10(2)22-9)14(23)21-7-11-3-4-12(19-6-11)24-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H,21,23)
InChIKeyKJPNEAWTMMIWHX-UHFFFAOYSA-N
XLogP2.36
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510173
2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 171928236
N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]spiro[2.4]heptane-2-carboxamide
CID 139007140
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 109431377
methyl 1-[N'-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254225
(2S)-N-[(6-methyl-3-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 94204725
6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 174836862
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111183950
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 162566306
N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide
CID 78872024
N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 68637896
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509543

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide (CID 174836820) is 3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)c(C)n1.
What is the InChIKey of 3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The InChIKey is KJPNEAWTMMIWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-9-5-20-13(10(2)22-9)14(23)21-7-11-3-4-12(19-6-11)24-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 174836820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).