2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide

C19H25F3N4O2 — CID 174811433

IUPAC2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCC(C)(C)N.Cc1cncc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O2.C4H11N/c1-9-7-19-8-13(20-9)14(22)21-10(2)11-3-5-12(6-4-11)23-15(16,17)18;1-4(2,3)5/h3-8,10H,1-2H3,(H,21,22);5H2,1-3H3
InChIKeyXMJRMSWHQFESSF-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.92
Rot. Bonds4

About 2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide

2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 174811433) has the molecular formula C19H25F3N4O2 and a molecular weight of 398.43 g/mol. Its IUPAC name is 2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID174811433
Molecular FormulaC19H25F3N4O2
Molecular Weight398.43 g/mol
Exact Mass398.19
IUPAC Name2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCC(C)(C)N.Cc1cncc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O2.C4H11N/c1-9-7-19-8-13(20-9)14(22)21-10(2)11-3-5-12(6-4-11)23-15(16,17)18;1-4(2,3)5/h3-8,10H,1-2H3,(H,21,22);5H2,1-3H3
InChIKeyXMJRMSWHQFESSF-UHFFFAOYSA-N
XLogP3.92
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 161315130
6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 174811246
2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67510555
tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 162260184
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
2-oxo-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-dihydrobenzimidazole-5-carboxamide
CID 174334932
N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110462509
6-oxo-2-pyrimidin-2-yl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137126165
2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46483070
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
2,4-dimethoxy-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46423703
3-acetamido-4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46485290

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide (CID 174811433) is 2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide is CC(C)(C)N.Cc1cncc(C(=O)NC(C)c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is XMJRMSWHQFESSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2.C4H11N/c1-9-7-19-8-13(20-9)14(22)21-10(2)11-3-5-12(6-4-11)23-15(16,17)18;1-4(2,3)5/h3-8,10H,1-2H3,(H,21,22);5H2,1-3H3.
What are the key properties of 2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 398.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;6-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 174811433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).