6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide

C14H14F2N4O2 — CID 133424962

IUPAC6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)c1cncc(C(N)=O)n1
InChIInChI=1S/C14H14F2N4O2/c1-20(12-7-18-6-11(19-12)13(17)21)8-9-2-4-10(5-3-9)22-14(15)16/h2-7,14H,8H2,1H3,(H2,17,21)
InChIKeyJAFYFDNCIPWICO-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.81
Rot. Bonds6

About 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide

6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide (PubChem CID 133424962) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide
PubChem CID133424962
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide
SMILESCN(Cc1ccc(OC(F)F)cc1)c1cncc(C(N)=O)n1
InChIInChI=1S/C14H14F2N4O2/c1-20(12-7-18-6-11(19-12)13(17)21)8-9-2-4-10(5-3-9)22-14(15)16/h2-7,14H,8H2,1H3,(H2,17,21)
InChIKeyJAFYFDNCIPWICO-UHFFFAOYSA-N
XLogP1.81
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazine-2-carboxamide
CID 133431049
5-(difluoromethoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 133424069
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanediamide
CID 60938031
1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethyl-1-methylguanidine;hydroiodide
CID 111288010
6-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]pyrazine-2-carboxamide
CID 133358420
3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549
2-(2-aminoethoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 79474111
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 62855560

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide?
The IUPAC name of 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide (CID 133424962) is 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide is CN(Cc1ccc(OC(F)F)cc1)c1cncc(C(N)=O)n1.
What is the InChIKey of 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide?
The InChIKey is JAFYFDNCIPWICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c1-20(12-7-18-6-11(19-12)13(17)21)8-9-2-4-10(5-3-9)22-14(15)16/h2-7,14H,8H2,1H3,(H2,17,21).
What are the key properties of 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide?
6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide has a molecular weight of 308.29 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(difluoromethoxy)phenyl]methyl-methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 133424962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).