N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide

C13H11F2N3O2 — CID 47222176

IUPACN-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C13H11F2N3O2/c1-8-6-17-11(7-16-8)12(19)18-9-3-2-4-10(5-9)20-13(14)15/h2-7,13H,1H3,(H,18,19)
InChIKeyHATDVLOAJUNFGZ-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.64
Rot. Bonds4

About N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide

N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide (PubChem CID 47222176) has the molecular formula C13H11F2N3O2 and a molecular weight of 279.25 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
PubChem CID47222176
Molecular FormulaC13H11F2N3O2
Molecular Weight279.25 g/mol
Exact Mass279.08
IUPAC NameN-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C13H11F2N3O2/c1-8-6-17-11(7-16-8)12(19)18-9-3-2-4-10(5-9)20-13(14)15/h2-7,13H,1H3,(H,18,19)
InChIKeyHATDVLOAJUNFGZ-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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Related Compounds

N-[4-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide
CID 2447949
N-[3-(difluoromethoxy)phenyl]-6-fluoropyridine-2-carboxamide
CID 115497227
5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide
CID 43601855
6-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 66463307
N-[3-(difluoromethoxy)phenyl]-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506292
N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
CID 79782174
2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 71788429
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950097
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
5-hydrazinyl-N-(3-methoxyphenyl)pyrazine-2-carboxamide
CID 107377927
3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 107518301
N-(2,6-difluorophenyl)-5-methylpyrazine-2-carboxamide
CID 51158953

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide (CID 47222176) is N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2cccc(OC(F)F)c2)cn1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is HATDVLOAJUNFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2/c1-8-6-17-11(7-16-8)12(19)18-9-3-2-4-10(5-9)20-13(14)15/h2-7,13H,1H3,(H,18,19).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide?
N-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-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-[3-(difluoromethoxy)phenyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 47222176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).