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

C13H12F2N4O2 — CID 133370007

IUPAC6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(NCc2ccccc2OC(F)F)n1
InChIInChI=1S/C13H12F2N4O2/c14-13(15)21-10-4-2-1-3-8(10)5-18-11-7-17-6-9(19-11)12(16)20/h1-4,6-7,13H,5H2,(H2,16,20)(H,18,19)
InChIKeyNJNFMBIBMREBLW-UHFFFAOYSA-N
MW294.26 g/mol
LogP1.79
Rot. Bonds6

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

6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide (PubChem CID 133370007) has the molecular formula C13H12F2N4O2 and a molecular weight of 294.26 g/mol. Its IUPAC name is 6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide
PubChem CID133370007
Molecular FormulaC13H12F2N4O2
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(NCc2ccccc2OC(F)F)n1
InChIInChI=1S/C13H12F2N4O2/c14-13(15)21-10-4-2-1-3-8(10)5-18-11-7-17-6-9(19-11)12(16)20/h1-4,6-7,13H,5H2,(H2,16,20)(H,18,19)
InChIKeyNJNFMBIBMREBLW-UHFFFAOYSA-N
XLogP1.79
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(difluoromethoxy)phenyl]methylamino]propanoate
CID 60780590
2-[[2-(difluoromethoxy)phenyl]methylamino]ethylurea
CID 83109474
(2R)-2-amino-N-[[2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide
CID 103929683
N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide
CID 81257132
N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489068
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
2-[2-(difluoromethoxy)phenyl]-N-(3-fluoro-4-pyridinyl)acetamide
CID 122156107
N-[[2-(difluoromethoxy)phenyl]methyl]-1H-indazol-7-amine
CID 43730919
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
methyl (2R)-3-[2-(difluoromethoxy)phenyl]-2-hydroxypropanoate
CID 131742808
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(difluoromethoxy)phenyl]acetamide
CID 119607084

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide?
The IUPAC name of 6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide (CID 133370007) is 6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide is NC(=O)c1cncc(NCc2ccccc2OC(F)F)n1.
What is the InChIKey of 6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide?
The InChIKey is NJNFMBIBMREBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O2/c14-13(15)21-10-4-2-1-3-8(10)5-18-11-7-17-6-9(19-11)12(16)20/h1-4,6-7,13H,5H2,(H2,16,20)(H,18,19).
What are the key properties of 6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide?
6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide has a molecular weight of 294.26 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 133370007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).