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

C18H23F3N5O2- — CID 159500993

IUPACtert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)[NH-].Cc1nc(OCC(F)(F)F)ccc1CNC(=O)c1cnccn1
InChIInChI=1S/C14H13F3N4O2.C4H10N/c1-9-10(2-3-12(21-9)23-8-14(15,16)17)6-20-13(22)11-7-18-4-5-19-11;1-4(2,3)5/h2-5,7H,6,8H2,1H3,(H,20,22);5H,1-3H3/q;-1
InChIKeyLZJQIZFQVXTCJG-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.89
Rot. Bonds5

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

tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide (PubChem CID 159500993) has the molecular formula C18H23F3N5O2- and a molecular weight of 398.41 g/mol. Its IUPAC name is tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Nametert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
PubChem CID159500993
Molecular FormulaC18H23F3N5O2-
Molecular Weight398.41 g/mol
Exact Mass398.18
IUPAC Nametert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)[NH-].Cc1nc(OCC(F)(F)F)ccc1CNC(=O)c1cnccn1
InChIInChI=1S/C14H13F3N4O2.C4H10N/c1-9-10(2-3-12(21-9)23-8-14(15,16)17)6-20-13(22)11-7-18-4-5-19-11;1-4(2,3)5/h2-5,7H,6,8H2,1H3,(H,20,22);5H,1-3H3/q;-1
InChIKeyLZJQIZFQVXTCJG-UHFFFAOYSA-N
XLogP3.89
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 171928236
2-acetamido-6-methyl-N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511047
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
N-[(4-chloro-2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 110482106
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 43040329
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
N-[(2,5-dimethylfuran-3-yl)methyl]pyrazine-2-carboxamide
CID 56765538
N-[2-[2-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 51091511
6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine
CID 162622233
6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 174836862

Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide (CID 159500993) is tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide is CC(C)(C)[NH-].Cc1nc(OCC(F)(F)F)ccc1CNC(=O)c1cnccn1.
What is the InChIKey of tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
The InChIKey is LZJQIZFQVXTCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2.C4H10N/c1-9-10(2-3-12(21-9)23-8-14(15,16)17)6-20-13(22)11-7-18-4-5-19-11;1-4(2,3)5/h2-5,7H,6,8H2,1H3,(H,20,22);5H,1-3H3/q;-1.
What are the key properties of tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide?
tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 159500993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).