2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide

C17H22F3N5O2 — CID 171928236

IUPAC2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)N.O=C(NCc1ccc(OCC(F)(F)F)nc1)c1cnccn1
InChIInChI=1S/C13H11F3N4O2.C4H11N/c14-13(15,16)8-22-11-2-1-9(5-19-11)6-20-12(21)10-7-17-3-4-18-10;1-4(2,3)5/h1-5,7H,6,8H2,(H,20,21);5H2,1-3H3
InChIKeyCRZQHIPWWRAEOS-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.49
Rot. Bonds5

About 2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide

2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide (PubChem CID 171928236) has the molecular formula C17H22F3N5O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
PubChem CID171928236
Molecular FormulaC17H22F3N5O2
Molecular Weight385.39 g/mol
Exact Mass385.17
IUPAC Name2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)N.O=C(NCc1ccc(OCC(F)(F)F)nc1)c1cnccn1
InChIInChI=1S/C13H11F3N4O2.C4H11N/c14-13(15,16)8-22-11-2-1-9(5-19-11)6-20-12(21)10-7-17-3-4-18-10;1-4(2,3)5/h1-5,7H,6,8H2,(H,20,21);5H2,1-3H3
InChIKeyCRZQHIPWWRAEOS-UHFFFAOYSA-N
XLogP2.49
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 171924976
N-[(6-methoxy-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 51306029
tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 159500993
3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 174836820
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
N-[2-oxo-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]ethyl]thiophene-2-carboxamide
CID 78872024
N-[(4-phenoxyphenyl)methyl]pyrazine-2-carboxamide
CID 110793747
6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 174836862
6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine
CID 162622233
N-(1H-pyrazol-4-ylmethyl)pyrazine-2-carboxamide
CID 60736174
N-[(6-methoxynaphthalen-2-yl)methyl]pyrazine-2-carboxamide
CID 51317152
N'-propanoyl-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyrazine-2-carbohydrazide
CID 174811032

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide (CID 171928236) is 2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide is CC(C)(C)N.O=C(NCc1ccc(OCC(F)(F)F)nc1)c1cnccn1.
What is the InChIKey of 2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The InChIKey is CRZQHIPWWRAEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2.C4H11N/c14-13(15,16)8-22-11-2-1-9(5-19-11)6-20-12(21)10-7-17-3-4-18-10;1-4(2,3)5/h1-5,7H,6,8H2,(H,20,21);5H2,1-3H3.
What are the key properties of 2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 171928236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).