6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide

C9H12F2N4O2 — CID 114129297

IUPAC6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide
SMILESNc1cncc(C(=O)NCCOCC(F)F)n1
InChIInChI=1S/C9H12F2N4O2/c10-7(11)5-17-2-1-14-9(16)6-3-13-4-8(12)15-6/h3-4,7H,1-2,5H2,(H2,12,15)(H,14,16)
InChIKeySLERZALNZPBEEP-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.07
Rot. Bonds6

About 6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide

6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide (PubChem CID 114129297) has the molecular formula C9H12F2N4O2 and a molecular weight of 246.22 g/mol. Its IUPAC name is 6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide
PubChem CID114129297
Molecular FormulaC9H12F2N4O2
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC Name6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide
SMILESNc1cncc(C(=O)NCCOCC(F)F)n1
InChIInChI=1S/C9H12F2N4O2/c10-7(11)5-17-2-1-14-9(16)6-3-13-4-8(12)15-6/h3-4,7H,1-2,5H2,(H2,12,15)(H,14,16)
InChIKeySLERZALNZPBEEP-UHFFFAOYSA-N
XLogP0.07
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-chloro-N-[2-(2,2-difluoroethoxy)ethyl]pyridine-4-carboxamide
CID 103099339
4-amino-3,5-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103099439
6-amino-N-[3-(methanesulfonamido)propyl]pyrazine-2-carboxamide
CID 114175964
2-(2-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide
CID 114126710
6-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazine-2-carboxamide
CID 106551650
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide
CID 106551316
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568
6-amino-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 114035922
2,4-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]benzamide
CID 103082574
6-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]pyrazine-2-carboxamide
CID 114134895
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 106106375

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide (CID 114129297) is 6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide is Nc1cncc(C(=O)NCCOCC(F)F)n1.
What is the InChIKey of 6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide?
The InChIKey is SLERZALNZPBEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O2/c10-7(11)5-17-2-1-14-9(16)6-3-13-4-8(12)15-6/h3-4,7H,1-2,5H2,(H2,12,15)(H,14,16).
What are the key properties of 6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide?
6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide has a molecular weight of 246.22 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(2,2-difluoroethoxy)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 114129297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).