N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide

C13H11F2N3O2 — CID 1246611

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnccn2)c(OC(F)F)c1
InChIInChI=1S/C13H11F2N3O2/c1-8-2-3-9(11(6-8)20-13(14)15)18-12(19)10-7-16-4-5-17-10/h2-7,13H,1H3,(H,18,19)
InChIKeyMPLSFHQEHIKPCG-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.64
Rot. Bonds4

About N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide

N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide (PubChem CID 1246611) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide
PubChem CID1246611
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cnccn2)c(OC(F)F)c1
InChIInChI=1S/C13H11F2N3O2/c1-8-2-3-9(11(6-8)20-13(14)15)18-12(19)10-7-16-4-5-17-10/h2-7,13H,1H3,(H,18,19)
InChIKeyMPLSFHQEHIKPCG-UHFFFAOYSA-N
XLogP2.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide (CID 1246611) is N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cnccn2)c(OC(F)F)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide?
The InChIKey is MPLSFHQEHIKPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-8-2-3-9(11(6-8)20-13(14)15)18-12(19)10-7-16-4-5-17-10/h2-7,13H,1H3,(H,18,19).
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide?
N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide has a molecular weight of 279.25 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1246611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).